-ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 4.0000 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -12.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -13.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -12.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -11.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -13.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -12.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -11.5792 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.0917 -11.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9083 -12.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -11.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -10.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9083 -10.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -10.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 -11.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -14.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1833 -13.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -14.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -9.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -9.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -10.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -9.5875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 3 18 1 0 0 0 0 2 19 1 0 0 0 0 18 20 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 M CHG 2 10 1 25 -1 M END > CFN90486 > Dracorhodin perchlorate > 125536-25-6 > 98% > C17H15ClO7 > 366.75 > Red powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Dracorhodin-perchlorate-CFN90486.html $$$$ -ISIS- 10201511232D 22 23 0 0 0 0 0 0 0 0999 V2000 -3.7375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.8708 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2208 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.0167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 M CHG 2 10 1 22 -1 M END > CFN99741 > Cyanidin Chloride > 528-58-5 > 98% > C15H11O6Cl > 322.70 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cyanidin-Chloride-CFN99741.html $$$$ -ISIS- 10201511232D 31 33 0 0 0 0 0 0 0 0999 V2000 -2.2542 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2542 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -4.2750 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.3417 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -3.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -6.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -6.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1750 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -7.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8625 -6.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8625 -6.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3833 -7.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 -7.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -3.5250 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 M CHG 2 10 1 31 -1 M END > CFN92041 > Cyanidin-3-O-arabinoside chloride > 111613-04-8 > 98% > C20H19ClO10 > 454.8 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cyanidin-3-O-arabinoside-chloride-CFN92041.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 -3.6750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -7.2542 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -5.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5083 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2875 -11.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -10.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8667 -11.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -11.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -6.1083 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 M CHG 2 10 1 33 -1 M END > CFN92040 > Cyanidin-3-O-galactoside chloride > 27661-36-5 > 98% > C21H21ClO11 > 484.9 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cyanidin-3-O-galactoside-chloride-CFN92040.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 7.7625 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -8.0958 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.7208 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -5.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -10.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -9.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -10.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9292 -11.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -12.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5167 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5167 -11.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3042 -12.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -13.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -12.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -13.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -6.9542 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 M CHG 2 10 1 33 -1 M END > CFN99740 > Cyanidin-3-O-glucoside chloride > 7084-24-4 > 98% > C21H21O11 > 449.38 > Yellow powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cyanidin-3-O-glucoside-chloride-CFN99740.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 0.0125 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -1.6917 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.9708 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 0.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -4.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1792 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -5.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9750 -6.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -5.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7667 -4.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5542 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -4.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7792 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -4.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5750 -5.8042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7792 -6.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0125 -5.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7792 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.5458 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 33 20 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 37 39 1 1 0 0 0 35 40 1 1 0 0 0 38 41 1 6 0 0 0 36 42 1 6 0 0 0 40 43 1 0 0 0 0 M CHG 2 10 1 44 -1 M END > CFN92138 > Cyanidin-3,5-O-diglucoside chloride > 2611-67-8 > 98% > C27H31O16Cl > 647.0 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cyanidin-3-5-O-diglucoside-chloride-CFN92138.html $$$$ -ISIS- 10201511232D 42 45 0 0 0 0 0 0 0 0999 V2000 6.2917 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -20.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -18.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -20.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -18.3458 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 10.2500 -18.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 -18.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 -17.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 -16.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 -17.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 -16.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6250 -16.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -18.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -21.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -20.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -21.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4625 -21.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -22.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2542 -22.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0458 -22.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0458 -21.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8375 -22.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -23.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 -21.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -22.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -22.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -21.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6292 -22.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4208 -22.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2125 -22.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2125 -21.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4208 -21.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4208 -20.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 -21.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 -22.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5583 -17.2042 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 33 30 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 M CHG 2 10 1 42 -1 M END > CFN92173 > Cyanidin-3-O-sambubioside chloride > 33012-73-6 > 98% > C26H29ClO15 > 617.0 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cyanidin-3-O-sambubioside-chloride-CFN92173.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 -2.1750 -13.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -14.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -15.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -14.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -13.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -13.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -15.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -14.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -13.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -13.5333 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.7833 -13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -13.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -12.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -12.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -12.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 -12.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 -13.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -16.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -15.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -16.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9917 -16.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -17.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7875 -18.1083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5792 -17.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5792 -16.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3667 -18.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -19.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -16.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -18.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -17.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 -16.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1583 -17.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -18.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7458 -17.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7458 -16.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9542 -16.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9542 -15.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -16.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -18.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -19.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 -19.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -12.3917 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 33 30 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 6 0 0 0 37 40 1 1 0 0 0 36 41 1 6 0 0 0 35 42 1 1 0 0 0 42 43 1 0 0 0 0 M CHG 2 10 1 44 -1 M END > CFN90469 > Cyanidin 3-sophoroside chloride > 18376-31-3 > 98% > C27H31O16.Cl > 646.99 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cyanidin-3-sophoroside-chloride-CFN90469.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 -3.5833 -17.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 -19.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -17.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 -17.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -19.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -17.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -17.2542 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.3750 -17.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -17.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -17.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -16.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -15.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -16.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -14.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -15.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 -17.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 -19.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -19.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -20.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4125 -20.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -21.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3792 -21.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1708 -21.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1708 -20.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9625 -21.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -22.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -20.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -21.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -21.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -21.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5833 -21.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 -21.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3750 -22.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5833 -23.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7875 -22.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1667 -21.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -24.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -23.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1667 -23.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 -16.1083 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 35 39 1 6 0 0 0 37 40 1 6 0 0 0 38 41 1 6 0 0 0 36 42 1 1 0 0 0 M CHG 2 10 1 43 -1 M END > CFN92135 > Cyanidin-3-O-rutinoside chloride > 18719-76-1 > 98% > C27H31O15Cl > 630.98 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cyanidin-3-O-rutinoside-chloride-CFN92135.html $$$$ -ISIS- 10201511232D 21 22 0 0 0 0 0 0 0 0999 V2000 -3.7375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.8708 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2208 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.0167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 M CHG 2 10 1 21 -1 M END > CFN92132 > Pelargonidin chloride > 134-04-3 > 98% > C15H11O5Cl > 306.7 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pelargonidin-chloride-CFN92132.html $$$$ -ISIS- 10201511232D 32 34 0 0 0 0 0 0 0 0999 V2000 7.7625 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -8.0958 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.7208 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -10.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -9.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -10.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9292 -11.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -12.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5167 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5167 -11.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3042 -12.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -13.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -12.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -13.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -6.9542 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 1 0 0 0 24 28 1 6 0 0 0 26 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 M CHG 2 10 1 32 -1 M END > CFN92134 > Pelargonidin-3-O-glucoside chloride > 18466-51-8 > 98% > C21H21O10Cl > 468.8 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pelargonidin-3-O-glucoside-chloride-CFN92134.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 0.0125 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -1.6917 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.9708 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -4.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1792 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -5.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9750 -6.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -5.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7667 -4.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5542 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -4.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7792 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -4.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5750 -5.8042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7792 -6.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0125 -5.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7792 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.5458 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 1 0 0 0 24 28 1 6 0 0 0 26 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 32 19 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 36 38 1 1 0 0 0 34 39 1 1 0 0 0 37 40 1 6 0 0 0 35 41 1 6 0 0 0 39 42 1 0 0 0 0 M CHG 2 10 1 43 -1 M END > CFN92170 > Pelargonidin-3,5-O-diglucoside chloride > 17334-58-6 > 98% > C27H31O15Cl > 631.0 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pelargonidin-3-5-O-diglucoside-chloride-CFN92170.html $$$$ -ISIS- 10201511232D 42 45 0 0 0 0 0 0 0 0999 V2000 -3.5833 -17.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 -19.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -17.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 -17.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -19.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -18.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -17.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -17.2542 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.3750 -17.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -17.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -17.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -16.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -15.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -16.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -15.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 -17.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 -19.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -19.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -20.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4125 -20.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -21.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3792 -21.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1708 -21.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1708 -20.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9625 -21.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -22.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -20.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -21.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -21.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7875 -21.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5833 -21.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 -21.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3750 -22.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5833 -23.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7875 -22.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1667 -21.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -24.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -23.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1667 -23.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 -16.1083 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 1 0 0 0 24 28 1 6 0 0 0 26 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 34 38 1 6 0 0 0 36 39 1 6 0 0 0 37 40 1 6 0 0 0 35 41 1 1 0 0 0 M CHG 2 10 1 42 -1 M END > CFN92133 > Pelargonidin-3-O-rutinosde chloride > 33978-17-5 > 98% > C27H31O14Cl > 615.0 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Pelargonidin-3-O-rutinosde-chloride-CFN92133.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 -3.7375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.8708 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2208 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.0167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 17 22 1 0 0 0 0 M CHG 2 10 1 23 -1 M END > CFN92034 > Peonidin chloride > 134-01-0 > 98% > C16H13ClO6 > 336.7 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Peonidin-chloride-CFN92034.html $$$$ -ISIS- 10201511232D 32 34 0 0 0 0 0 0 0 0999 V2000 7.9792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 1.0292 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.9375 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 3.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3125 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -1.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1500 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -3.5458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7333 -3.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7333 -2.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5250 -3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 2.1708 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 17 31 1 0 0 0 0 M CHG 2 10 1 32 -1 M END > CFN92047 > Peonidin-3-O-arabinoside chloride > 524943-91-7 > 98% > C21H21ClO10 > 468.8 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Peonidin-3-O-arabinoside-chloride-CFN92047.html $$$$ -ISIS- 10201511232D 34 36 0 0 0 0 0 0 0 0999 V2000 -3.6750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -7.2542 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -5.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5083 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2875 -11.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -10.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8667 -11.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -11.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -6.1083 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 17 33 1 0 0 0 0 M CHG 2 10 1 34 -1 M END > CFN92045 > Peonidin-3-O-galactoside chloride > 28148-89-2 > 98% > C22H23ClO11 > 498.9 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Peonidin-3-O-galactoside-chloride-CFN92045.html $$$$ -ISIS- 10201511232D 34 36 0 0 0 0 0 0 0 0999 V2000 7.7625 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -8.0958 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.7208 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -5.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -10.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -9.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -10.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9292 -11.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -12.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5167 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5167 -11.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3042 -12.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -13.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -12.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -13.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -6.9542 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 17 33 1 0 0 0 0 M CHG 2 10 1 34 -1 M END > CFN92046 > Peonidin-3-O-glucoside chloride > 6906-39-4 > 98% > C22H23ClO11 > 498.9 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Peonidin-3-O-glucoside-chloride-CFN92046.html $$$$ -ISIS- 10201511232D 24 25 0 0 0 0 0 0 0 0999 V2000 -3.7375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.8708 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2208 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.0167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 M CHG 2 10 1 24 -1 M END > CFN92036 > Petunidin chloride > 1429-30-7 > 98% > C16H13ClO7 > 352.7 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Petunidin-chloride-CFN92036.html $$$$ -ISIS- 10201511232D 33 35 0 0 0 0 0 0 0 0999 V2000 7.9792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 1.0292 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.9375 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 3.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3125 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -1.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1500 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -3.5458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7333 -3.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7333 -2.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5250 -3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3167 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 2.1708 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 17 31 1 0 0 0 0 13 32 1 0 0 0 0 M CHG 2 10 1 33 -1 M END > CFN92044 > Petunidin-3-O-arabinoside chloride > 28500-03-0 > 98% > C21H21ClO11 > 484.8 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Petunidin-3-O-arabinoside-chloride-CFN92044.html $$$$ -ISIS- 10201511232D 35 37 0 0 0 0 0 0 0 0999 V2000 -3.6750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -7.2542 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -5.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5083 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2875 -11.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -10.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8667 -11.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -11.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -7.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -6.1083 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 17 33 1 0 0 0 0 13 34 1 0 0 0 0 M CHG 2 10 1 35 -1 M END > CFN92042 > Petunidin-3-O-galactoside chloride > 28500-02-9 > 98% > C22H23ClO12 > 514.9 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Petunidin-3-O-galactoside-chloride-CFN92042.html $$$$ -ISIS- 10201511232D 35 37 0 0 0 0 0 0 0 0999 V2000 7.7625 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -8.0958 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.7208 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -10.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -9.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -10.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9292 -11.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -12.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5167 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5167 -11.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3042 -12.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -13.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -12.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -13.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -5.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -6.9542 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 1 0 0 0 24 28 1 6 0 0 0 26 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 13 34 1 0 0 0 0 M CHG 2 10 1 35 -1 M END > CFN92043 > Petunidin-3-O-glucoside chloride > 6988-81-4 > 98% > C22H23ClO12 > 514.9 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Petunidin-3-O-glucoside-chloride-CFN92043.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 -3.7375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.8708 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2208 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.0167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 2 10 1 25 -1 M END > CFN92035 > Malvidin chloride > 643-84-5 > 98% > C17H15ClO7 > 366.8 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Malvidin-chloride-CFN92035.html $$$$ -ISIS- 10201511232D 34 36 0 0 0 0 0 0 0 0999 V2000 7.9792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 1.0292 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.9375 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 3.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3125 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 1.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -1.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1500 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -3.5458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7333 -3.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7333 -2.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5250 -3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9417 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5250 3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3167 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1083 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 2.1708 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 17 31 1 0 0 0 0 13 32 1 0 0 0 0 32 33 1 0 0 0 0 M CHG 2 10 1 34 -1 M END > CFN92050 > Malvidin-3-O-arabinoside chloride > 28500-04-1 > 98% > C22H23ClO11 > 498.9 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Malvidin-3-O-arabinoside-chloride-CFN92050.html $$$$ -ISIS- 10201511232D 36 38 0 0 0 0 0 0 0 0999 V2000 -3.6750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -7.2542 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -5.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5083 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2875 -11.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -10.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8667 -11.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -11.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -7.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -6.1083 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 24 31 1 1 0 0 0 31 32 1 0 0 0 0 17 33 1 0 0 0 0 13 34 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 2 10 1 36 -1 M END > CFN92048 > Malvidin-3-O-galactoside chloride > 30113-37-2 > 98% > C23H25ClO12 > 528.9 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Malvidin-3-O-galactoside-chloride-CFN92048.html $$$$ -ISIS- 10201511232D 36 38 0 0 0 0 0 0 0 0999 V2000 7.7625 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -8.0958 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.7208 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -10.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -9.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -10.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9292 -11.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -12.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5167 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5167 -11.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3042 -12.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -13.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -12.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -13.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -5.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8917 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -6.9542 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 25 27 1 1 0 0 0 24 28 1 6 0 0 0 26 29 1 6 0 0 0 23 30 1 1 0 0 0 30 31 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 13 34 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 2 10 1 36 -1 M END > CFN92049 > Malvidin-3-O-glucoside chloride > 7228-78-6 > 98% > C23H25ClO12 > 528.9 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Malvidin-3-O-glucoside-chloride-CFN92049.html $$$$ -ISIS- 10201511232D 23 24 0 0 0 0 0 0 0 0999 V2000 -3.7375 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.8708 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2208 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.0167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 13 22 1 0 0 0 0 M CHG 2 10 1 23 -1 M END > CFN92033 > Delphinidin chloride > 528-53-0 > 98% > C15H11ClO7 > 338.7 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Delphinidin-chloride-CFN92033.html $$$$ -ISIS- 10201511232D 32 34 0 0 0 0 0 0 0 0999 V2000 -1.7375 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -5.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -5.1583 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.2208 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -4.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -4.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -3.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 -5.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -6.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -7.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4292 -8.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -9.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0167 -9.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0167 -8.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8042 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -10.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -4.0167 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 13 31 1 0 0 0 0 M CHG 2 10 1 32 -1 M END > CFN92039 > Delphinidin-3-O-arabinoside chloride > 171370-55-1 > 98% > C20H19ClO11 > 470.8 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Delphinidin-3-O-arabinoside-chloride-CFN92039.html $$$$ -ISIS- 10201511232D 34 36 0 0 0 0 0 0 0 0999 V2000 -3.6750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -8.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -7.2542 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.2833 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -5.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -9.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5083 -10.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2875 -11.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -11.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0792 -10.4542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8667 -11.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -7.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -11.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -12.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -6.1083 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 1 0 0 0 27 30 1 6 0 0 0 13 31 1 0 0 0 0 24 32 1 1 0 0 0 32 33 1 0 0 0 0 M CHG 2 10 1 34 -1 M END > CFN92037 > Delphinidin-3-O-galactoside chloride > 28500-00-7 > 98% > C21H21ClO12 > 500.8 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Delphinidin-3-O-galactoside-chloride-CFN92037.html $$$$ -ISIS- 10201511232D 34 36 0 0 0 0 0 0 0 0999 V2000 7.7625 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -8.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -9.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -9.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -8.0958 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 11.7208 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -8.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 -5.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -6.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -10.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -9.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -10.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9292 -11.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7250 -12.6708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5167 -12.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5167 -11.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3042 -12.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7250 -13.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3042 -10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -8.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -12.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 -13.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 -6.9542 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 13 31 1 0 0 0 0 24 32 1 1 0 0 0 32 33 1 0 0 0 0 M CHG 2 10 1 34 -1 M END > CFN92038 > Delphinidin-3-O-glucoside chloride > 6906-38-3 > 98% > C21H21ClO12 > 500.8 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Delphinidin-3-O-glucoside-chloride-CFN92038.html $$$$ -ISIS- 10201511232D 45 48 0 0 0 0 0 0 0 0999 V2000 0.0125 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -1.6917 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.9708 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 0.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -4.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1792 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -5.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9750 -6.2667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7667 -5.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7667 -4.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5542 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -4.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7792 -4.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -4.8917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5750 -5.8042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7792 -6.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0125 -5.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7792 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -4.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.5458 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 13 31 1 0 0 0 0 24 32 1 1 0 0 0 32 33 1 0 0 0 0 34 20 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 38 40 1 1 0 0 0 36 41 1 1 0 0 0 39 42 1 6 0 0 0 37 43 1 6 0 0 0 41 44 1 0 0 0 0 M CHG 2 10 1 45 -1 M END > CFN92137 > Delphinidin-3,5-O-diglucoside chloride > 17670-06-3 > 98% > C27H31O17Cl > 663.0 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Delphinidin-3-5-O-diglucoside-chloride-CFN92137.html $$$$ -ISIS- 10201511232D 44 47 0 0 0 0 0 0 0 0999 V2000 -3.1458 -17.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -18.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -19.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -18.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -17.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -17.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -19.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -18.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -17.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -17.2833 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.8125 -17.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -17.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -17.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -16.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -15.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -16.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -15.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -15.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 -17.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -20.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -19.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -20.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0250 -20.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -21.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8167 -21.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6083 -21.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6083 -20.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4000 -21.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -22.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -20.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -17.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -21.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -21.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -21.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1458 -21.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 -21.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9375 -22.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1458 -23.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3500 -22.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7292 -21.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -24.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -23.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7292 -23.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 -16.1417 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 13 31 1 0 0 0 0 24 32 1 1 0 0 0 32 33 1 0 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 36 40 1 6 0 0 0 38 41 1 6 0 0 0 39 42 1 6 0 0 0 37 43 1 1 0 0 0 M CHG 2 10 1 44 -1 M END > CFN92136 > Delphinidin-3-O-rutinoside chloride > 15674-58-5 > 98% > C27H31O16Cl > 645.0 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Delphinidin-3-O-rutinoside-chloride-CFN92136.html $$$$ -ISIS- 10201511232D 43 46 0 0 0 0 0 0 0 0999 V2000 6.2917 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -20.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -18.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -20.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -18.3458 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 10.2500 -18.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 -18.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 -17.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 -16.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2500 -17.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 -16.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6250 -16.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -18.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -21.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -20.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -21.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4625 -21.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -22.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2542 -22.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0458 -22.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0458 -21.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8375 -22.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -23.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 -21.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -18.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -22.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -22.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -21.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6292 -22.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4208 -22.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2125 -22.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2125 -21.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4208 -21.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4208 -20.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 -21.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 -22.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5583 -17.2042 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 26 28 1 1 0 0 0 25 29 1 6 0 0 0 27 30 1 6 0 0 0 13 31 1 0 0 0 0 24 32 1 1 0 0 0 32 33 1 0 0 0 0 34 30 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 6 0 0 0 38 41 1 1 0 0 0 37 42 1 6 0 0 0 M CHG 2 10 1 43 -1 M END > CFN92171 > Delphinidin-3-sambubioside chloride > 53158-73-9 > 98% > C26H29O16Cl > 633.0 > Powder > Flavonoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Delphinidin-3-sambubioside-chloride-CFN92171.html $$$$