-ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 7.1833 -3.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1833 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -4.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7375 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1833 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8000 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6125 -7.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4250 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4250 -6.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 -5.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 19 23 1 0 0 0 0 9 24 1 1 0 0 0 9 25 1 6 0 0 0 7 26 1 6 0 0 0 M END > CFN97604 > 6-Epiharpagide > 86362-16-5 > 98% > C15H24O10 > 364.35 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-Epiharpagide-CFN97604.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 7.1833 -3.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1833 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -4.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7375 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1833 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8000 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6125 -7.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4250 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4250 -6.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 -5.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 19 23 1 0 0 0 0 9 24 1 1 0 0 0 9 25 1 6 0 0 0 7 26 1 6 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 M END > CFN97590 > 6-Epi-8-O-acetylharpagide > 97169-44-3 > 98% > C17H26O11 > 406.39 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-Epi-8-O-acetylharpagide-CFN97590.html $$$$ -ISIS- 10201511232D 36 39 0 0 0 0 0 0 0 0999 V2000 7.9292 -5.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9292 -6.7250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7208 -7.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5125 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7208 -5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -5.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5250 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -7.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8250 -4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -4.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -7.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7208 -8.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -8.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5125 -9.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2958 -9.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0917 -9.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0917 -8.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2958 -8.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8833 -8.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2958 -10.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2958 -7.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -9.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -11.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -7.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -7.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -7.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -7.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4708 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 -8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 10 1 6 0 0 0 1 11 1 1 0 0 0 2 12 1 1 0 0 0 3 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 14 13 1 1 0 0 0 18 20 1 1 0 0 0 16 21 1 1 0 0 0 19 22 1 6 0 0 0 17 23 1 6 0 0 0 21 24 1 0 0 0 0 9 25 1 6 0 0 0 9 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 28 30 2 0 0 0 0 M END > CFN96074 > 6-Epiharpagoside > 1151862-67-7 > 98% > C24H30O11 > 494.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-Epiharpagoside-CFN96074.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 7.1833 -3.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1833 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -4.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7375 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1833 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8000 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6125 -7.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4250 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4250 -6.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 -5.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 19 23 1 0 0 0 0 9 24 1 1 0 0 0 9 25 1 6 0 0 0 7 26 1 1 0 0 0 M END > CFN98148 > Harpagide > 6926-08-5 > 98% > C15H24O10 > 364.35 > White powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Harpagide-CFN98148.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 7.1833 -3.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1833 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -4.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7375 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1833 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8000 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6125 -7.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4250 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4250 -6.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 -5.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -4.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -4.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -5.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 19 23 1 0 0 0 0 9 24 1 1 0 0 0 9 25 1 6 0 0 0 7 26 1 1 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M END > CFN97181 > 8-O-Acetylharpagide > 6926-14-3 > 98% > C17H26O11 > 406.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/8-O-Acetylharpagide-CFN97181.html $$$$ -ISIS- 10201511232D 36 39 0 0 0 0 0 0 0 0999 V2000 6.8792 -4.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8792 -5.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6542 -5.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4292 -5.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5000 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -5.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7958 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -3.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -6.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -6.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4292 -8.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9792 -8.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9792 -7.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2042 -6.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7542 -6.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -5.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -8.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -9.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -6.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -4.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -7.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 10 1 1 0 0 0 1 11 1 1 0 0 0 2 12 1 1 0 0 0 3 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 14 13 1 1 0 0 0 18 20 1 1 0 0 0 16 21 1 1 0 0 0 19 22 1 6 0 0 0 17 23 1 6 0 0 0 21 24 1 0 0 0 0 9 25 1 6 0 0 0 9 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 27 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 M END > CFN98147 > Harpagoside > 19210-12-9 > 98% > C24H30O11 > 494.49 > White cryst. > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Harpagoside-CFN98147.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 5.6125 -5.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6125 -6.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4250 -6.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2375 -6.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -5.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -4.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1708 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -6.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6125 -4.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -6.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -7.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2375 -8.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -9.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8583 -8.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8583 -7.9292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0458 -7.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6708 -7.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -10.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -6.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 -9.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -10.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -6.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 12 1 1 0 0 0 17 19 1 1 0 0 0 15 20 1 1 0 0 0 18 21 1 6 0 0 0 16 22 1 6 0 0 0 20 23 1 0 0 0 0 7 24 1 1 0 0 0 9 25 1 1 0 0 0 9 26 1 6 0 0 0 M END > CFN90759 > Ajugol > 52949-83-4 > 98% > C15H24O9 > 348.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ajugol-CFN90759.html $$$$ -ISIS- 10201511232D 37 40 0 0 0 0 0 0 0 0999 V2000 7.5042 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -6.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2792 -7.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1208 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -6.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4167 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -7.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0583 -9.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6167 -9.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6167 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -10.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -7.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -7.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 10 1 1 0 0 0 1 11 1 1 0 0 0 2 12 1 1 0 0 0 3 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 14 13 1 1 0 0 0 18 20 1 1 0 0 0 16 21 1 1 0 0 0 19 22 1 6 0 0 0 17 23 1 6 0 0 0 21 24 1 0 0 0 0 25 10 1 0 0 0 0 26 25 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 26 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 9 36 1 1 0 0 0 9 37 1 6 0 0 0 M END > CFN99354 > 6-O-Vanilloylajugol > 124168-04-3 > 98% > C23H30O12 > 498.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-Vanilloylajugol-CFN99354.html $$$$ -ISIS- 10201511232D 39 42 0 0 0 0 0 0 0 0999 V2000 7.5042 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -6.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2792 -7.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1208 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -6.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4167 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -7.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0583 -9.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6167 -9.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6167 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -10.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -7.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -7.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -6.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 10 1 1 0 0 0 1 11 1 1 0 0 0 2 12 1 1 0 0 0 3 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 14 13 1 1 0 0 0 18 20 1 1 0 0 0 16 21 1 1 0 0 0 19 22 1 6 0 0 0 17 23 1 6 0 0 0 21 24 1 0 0 0 0 25 10 1 0 0 0 0 26 25 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 26 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 34 35 1 0 0 0 0 9 36 1 1 0 0 0 9 37 1 6 0 0 0 31 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > CFN99483 > 6-O-Syringoylajugol > 144049-72-9 > 98% > C24H32O13 > 528.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-Syringoylajugol-CFN99483.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 7.1833 -3.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1833 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -4.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7375 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -2.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8000 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6125 -7.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4250 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4250 -6.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 -5.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -5.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 19 23 1 0 0 0 0 7 24 1 1 0 0 0 9 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > CFN98530 > Aucubin > 479-98-1 > 98% > C15H22O9 > 346.33 > White powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Aucubin-CFN98530.html $$$$ -ISIS- 10201511232D 35 38 0 0 0 0 0 0 0 0999 V2000 7.5042 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -6.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2792 -7.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1208 -6.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -7.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0583 -9.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6167 -9.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6167 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -10.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -7.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 7 10 1 1 0 0 0 1 11 1 1 0 0 0 2 12 1 1 0 0 0 3 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 14 13 1 1 0 0 0 18 20 1 1 0 0 0 16 21 1 1 0 0 0 19 22 1 6 0 0 0 17 23 1 6 0 0 0 21 24 1 0 0 0 0 25 10 1 0 0 0 0 26 25 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 26 1 0 0 0 0 30 33 1 0 0 0 0 9 34 1 0 0 0 0 34 35 1 0 0 0 0 M END > CFN99031 > 6-O-p-Hydroxybenzoylaucubin > 1016987-87-3 > 98% > C22H26O11 > 466.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-p-Hydroxybenzoylaucubin-CFN99031.html $$$$ -ISIS- 10201511232D 35 38 0 0 0 0 0 0 0 0999 V2000 8.3625 -5.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3625 -5.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1458 -6.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9292 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -5.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9750 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -4.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -6.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -7.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -7.7917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9292 -8.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -9.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4958 -8.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4958 -7.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7125 -7.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2750 -7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -10.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -6.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 -9.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4958 -10.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 7 12 1 1 0 0 0 9 13 1 0 0 0 0 3 14 1 1 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 17 1 0 0 0 0 21 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 25 14 1 1 0 0 0 29 31 1 1 0 0 0 27 32 1 1 0 0 0 30 33 1 6 0 0 0 28 34 1 6 0 0 0 32 35 1 0 0 0 0 M END > CFN99203 > Agnuside > 11027-63-7 > 98% > C22H26O11 > 466.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Agnuside-CFN99203.html $$$$ -ISIS- 10201511232D 37 40 0 0 0 0 0 0 0 0999 V2000 8.3625 -5.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3625 -5.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1458 -6.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9292 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -5.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9750 -5.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -4.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -6.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -7.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9292 -7.7917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9292 -8.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -9.1500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4958 -8.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4958 -7.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7125 -7.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2750 -7.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -10.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -6.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 -9.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4958 -10.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -9.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -9.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 7 12 1 1 0 0 0 9 13 1 0 0 0 0 3 14 1 1 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 17 1 0 0 0 0 21 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 25 14 1 1 0 0 0 29 31 1 1 0 0 0 27 32 1 1 0 0 0 30 33 1 6 0 0 0 28 34 1 6 0 0 0 32 35 1 0 0 0 0 22 36 1 0 0 0 0 36 37 1 0 0 0 0 M END > CFN99891 > 10-O-Vanilloylaucubin > 193969-08-3 > 98% > C23H28O12 > 496.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/10-O-Vanilloylaucubin-CFN99891.html $$$$ -ISIS- 10201511232D 48 52 0 0 0 0 0 0 0 0999 V2000 3.4667 -5.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4667 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2750 -6.6792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0875 -6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -4.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0208 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -4.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -7.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -7.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -8.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0833 -9.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8917 -9.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7083 -9.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7083 -8.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8917 -7.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -7.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -10.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -9.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -9.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3333 -8.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -4.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -7.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -3.8667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0917 -4.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -3.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9042 -2.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0917 -2.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2792 -2.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0917 -1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -4.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -3.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -1.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2792 -1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -0.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4667 0.3583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6542 -0.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -1.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0917 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 19 23 1 0 0 0 0 7 24 1 1 0 0 0 9 25 1 0 0 0 0 25 26 1 0 0 0 0 27 10 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 31 33 1 1 0 0 0 29 34 1 1 0 0 0 32 35 1 6 0 0 0 30 36 1 6 0 0 0 34 37 1 0 0 0 0 38 35 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 40 44 1 1 0 0 0 42 45 1 1 0 0 0 41 46 1 6 0 0 0 43 47 1 6 0 0 0 44 48 1 0 0 0 0 M END > CFN90216 > Rhmannioside D > 81720-08-3 > 98% > C27H42O20 > 686.61 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rhmannioside-D-CFN90216.html $$$$ -ISIS- 10201511232D 26 29 0 0 0 0 0 0 0 0999 V2000 3.7167 -4.6250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -5.5625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -6.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3417 -5.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2708 -5.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8250 -5.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -3.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -6.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -7.4417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3333 -8.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1458 -8.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9583 -8.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9583 -7.4417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 -6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -9.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -8.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 -8.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -7.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -6.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 19 23 1 0 0 0 0 7 24 1 6 0 0 0 8 25 1 1 0 0 0 9 25 1 1 0 0 0 9 26 1 6 0 0 0 M END > CFN96021 > Procumbide > 20486-27-5 > 98% > C15H22O10 > 362.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Procumbide-CFN96021.html $$$$ -ISIS- 10201511232D 27 30 0 0 0 0 0 0 0 0999 V2000 7.1833 -3.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1833 -4.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9917 -4.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8083 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -3.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7375 -3.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2917 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1833 -2.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -5.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -5.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -6.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8000 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6125 -7.5292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4250 -7.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4250 -6.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6125 -5.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -8.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2375 -7.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -5.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 19 23 1 0 0 0 0 7 24 1 1 0 0 0 8 25 1 1 0 0 0 9 25 1 1 0 0 0 9 26 1 6 0 0 0 26 27 1 0 0 0 0 M END > CFN98251 > Catalpol > 2415-24-9 > 98% > C15H22O10 > 362.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Catalpol-CFN98251.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.7167 -4.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7167 -5.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -6.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3417 -5.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2708 -5.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8250 -5.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7167 -3.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -6.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -7.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -7.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3333 -8.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1458 -8.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9583 -8.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9583 -7.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1458 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -9.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -8.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 -8.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -3.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -6.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -6.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 -6.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 -5.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3917 -6.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2042 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2042 -4.7542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3917 -4.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5792 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -6.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -7.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -4.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -2.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 3 12 1 1 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 17 19 1 6 0 0 0 15 20 1 6 0 0 0 14 21 1 1 0 0 0 16 22 1 1 0 0 0 7 23 1 1 0 0 0 8 24 1 1 0 0 0 9 24 1 1 0 0 0 9 25 1 6 0 0 0 25 26 1 0 0 0 0 19 27 1 0 0 0 0 28 27 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 32 34 1 6 0 0 0 30 35 1 6 0 0 0 29 36 1 1 0 0 0 31 37 1 6 0 0 0 34 38 1 0 0 0 0 M END > CFN90761 > Rehmannioside A > 81720-05-0 > 98% > C21H32O15 > 524.5 > Powder > Iridoids > DMSO, Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rehmannioside-A-CFN90761.html $$$$ -ISIS- 10201511232D 36 40 0 0 0 0 0 0 0 0999 V2000 7.5042 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -6.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2792 -7.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1208 -6.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6458 -6.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7542 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -7.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0583 -9.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6167 -9.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6167 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -10.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -7.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -8.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 29 1 0 0 0 0 33 36 1 0 0 0 0 M END > CFN97148 > Catalposide > 6736-85-2 > 98% > C22H26O12 > 482.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Catalposide-CFN97148.html $$$$ -ISIS- 10201511232D 45 50 0 0 0 0 0 0 0 0999 V2000 7.2125 -4.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2125 -5.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9458 -6.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6875 -5.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -4.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9000 -5.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4000 -5.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2125 -3.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -6.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -6.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -4.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -6.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -7.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6875 -8.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -8.5792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1625 -8.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1625 -7.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4292 -6.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9000 -6.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -9.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 -8.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -9.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -10.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -10.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -12.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -12.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 7 12 1 1 0 0 0 3 13 1 1 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 9 23 1 6 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 25 13 1 1 0 0 0 29 31 1 1 0 0 0 27 32 1 1 0 0 0 30 33 1 6 0 0 0 28 34 1 6 0 0 0 32 35 1 0 0 0 0 8 36 1 1 0 0 0 9 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 38 1 0 0 0 0 42 45 1 0 0 0 0 M END > CFN98471 > 6'-O-p-Hydroxybenzoylcatalposide > 355143-38-3 > 98% > C29H30O14 > 602.6 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-p-Hydroxybenzoylcatalposide-CFN98471.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 7.5042 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5042 -6.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2792 -7.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0583 -6.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1208 -6.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6458 -6.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7542 -7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -7.5833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0583 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0583 -9.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -9.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6167 -9.3792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6167 -8.4833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8375 -8.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3958 -8.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -10.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -7.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -9.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6167 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -8.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 29 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > CFN99566 > Picroside II > 39012-20-9 > 98% > C23H28O13 > 512.47 > White powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Picroside-II-CFN99566.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 6.8792 -4.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8792 -5.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6542 -5.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4292 -5.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -4.2875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5000 -5.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0250 -5.7375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1375 -5.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -6.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -6.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -7.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4292 -8.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -8.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9792 -8.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9792 -7.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2042 -6.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7542 -6.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2042 -5.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7542 -8.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -9.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -8.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -9.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -10.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -11.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -10.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 28 32 2 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 M END > CFN99451 > Globularin > 1399-49-1 > 98% > C24H28O11 > 492.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Globularin-CFN99451.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 M END > CFN99428 > 6-O-Cinnamoylcatalpol > 136807-41-5 > 98% > C24H28O11 > 492.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-Cinnamoylcatalpol-CFN99428.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 M END > CFN99565 > Picroside I > 27409-30-9 > 98% > C24H28O11 > 492.47 > White powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Picroside-I-CFN99565.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 M END > CFN97207 > Specioside > 72514-90-0 > 98% > C24H28O12 > 508.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Specioside-CFN97207.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > CFN99335 > 6-O-p-Methoxycinnamoylcatalpol > 121710-02-9 > 98% > C25H30O12 > 522.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-p-Methoxycinnamoylcatalpol-CFN99335.html $$$$ -ISIS- 10201511232D 39 43 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 M END > CFN98809 > Verminoside > 50932-19-9 > 98% > C24H28O13 > 524.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Verminoside-CFN98809.html $$$$ -ISIS- 10201511232D 40 44 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > CFN97255 > 6-Feruloylcatalpol > 770721-33-0 > 98% > C25H30O13 > 538.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-Feruloylcatalpol-CFN97255.html $$$$ -ISIS- 10201511232D 40 44 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > CFN99567 > Picroside III > 64461-95-6 > 98% > C25H30O13 > 538.50 > White powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Picroside-III-CFN99567.html $$$$ -ISIS- 10201511232D 40 44 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 38 40 1 0 0 0 0 M END > CFN98811 > Minecoside > 51005-44-8 > 98% > C25H30O13 > 538.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Minecoside-CFN98811.html $$$$ -ISIS- 10201511232D 41 45 0 0 0 0 0 0 0 0999 V2000 8.5000 -5.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5000 -6.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2667 -7.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0375 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -5.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1375 -6.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6542 -6.9125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7750 -7.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -4.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -7.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0375 -9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -9.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 -9.2875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5708 -8.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8000 -7.9583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3375 -7.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -10.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3375 -9.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -8.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 7 11 1 1 0 0 0 1 12 1 1 0 0 0 2 13 1 1 0 0 0 8 10 1 1 0 0 0 9 10 1 1 0 0 0 3 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 14 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 9 26 1 6 0 0 0 27 26 1 0 0 0 0 28 11 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 31 1 0 0 0 0 35 38 1 0 0 0 0 34 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > CFN99611 > 6-O-(3'',4''-Dimethoxycinnamoyl)catalpol > 147714-71-4 > 98% > C26H32O13 > 552.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-3-4-Dimethoxycinnamoyl-catalpol-CFN99611.html $$$$