-ISIS- 10201511232D 14 16 0 0 0 0 0 0 0 0999 V2000 4.4250 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -7.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -7.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -8.6500 0.0000 C 0 0 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 1 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 8 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 3 1 0 0 0 0 M END > CFN98854 > Angelicin > 523-50-2 > 98% > C11H6O3 > 186.2 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Angelicin-CFN98854.html $$$$ -ISIS- 10201511232D 16 18 0 0 0 0 0 0 0 0999 V2000 4.3958 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -5.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 1 1 0 0 0 0 13 12 1 0 0 0 0 2 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 3 1 0 0 0 0 M END > CFN98763 > Sphondin > 483-66-9 > 98% > C12H8O4 > 216.2 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Sphondin-CFN98763.html $$$$ -ISIS- 10201511232D 16 18 0 0 0 0 0 0 0 0999 V2000 4.9417 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -7.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -7.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 3 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > CFN90231 > Isobergapten > 482-48-4 > 98% > C12H8O4 > 216.19 > White powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isobergapten-CFN90231.html $$$$ -ISIS- 10201511232D 18 20 0 0 0 0 0 0 0 0999 V2000 4.4250 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -7.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -7.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -7.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -8.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -4.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -4.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 3 1 0 0 0 0 1 15 1 0 0 0 0 15 16 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > CFN99402 > Pimpinellin > 131-12-4 > 98% > C13H10O5 > 246.2 > Yellow powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Pimpinellin-CFN99402.html $$$$ -ISIS- 10201511232D 40 46 0 0 0 0 0 0 0 0999 V2000 -0.6958 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -6.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6542 -5.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8708 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -3.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -7.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -5.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5583 -6.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3417 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -3.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -8.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -8.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -9.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -7.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -6.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -6.9917 0.0000 H 0 0 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 2 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 1 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 2 1 0 0 0 0 8 17 1 0 0 0 0 7 18 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 19 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 20 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 1 0 0 0 0 32 33 1 0 0 0 0 25 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 26 1 0 0 0 0 8 37 1 6 0 0 0 17 38 1 6 0 0 0 7 39 1 6 0 0 0 18 40 1 6 0 0 0 M END > CFN92638 > Moellendorffilin > 105099-87-4 > 98% > C26H20O10 > 492.4 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Moellendorffilin-CFN92638.html $$$$ -ISIS- 10201511232D 14 16 0 0 0 0 0 0 0 0999 V2000 4.3958 -5.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -6.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -6.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -5.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -6.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -6.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -5.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -6.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -6.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -6.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -5.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 M END > CFN97142 > Psoralen > 66-97-7 > 98% > C11H6O3 > 186.2 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Psoralen-CFN97142.html $$$$ -ISIS- 10201511232D 15 17 0 0 0 0 0 0 0 0999 V2000 4.9542 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9458 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -7.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 3 15 1 0 0 0 0 M END > CFN98016 > Xanthotoxol > 2009-24-7 > 98% > C11H6O4 > 202.2 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Xanthotoxol-CFN98016.html $$$$ -ISIS- 10201511232D 16 18 0 0 0 0 0 0 0 0999 V2000 4.9542 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9458 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -7.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -5.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -7.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 3 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > CFN98372 > Xanthotoxin > 298-81-7 > 98% > C12H8O4 > 216.2 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Xanthotoxin-CFN98372.html $$$$ -ISIS- 10201511232D 27 30 0 0 0 0 0 0 0 0999 V2000 3.1750 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -7.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -4.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -4.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2542 -3.8500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7333 -3.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2125 -3.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7333 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -4.4500 0.0000 O 0 0 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 1 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 11 2 1 0 0 0 0 12 11 1 0 0 0 0 12 13 2 0 0 0 0 13 1 1 0 0 0 0 8 14 2 0 0 0 0 3 15 1 0 0 0 0 6 16 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 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 17 16 1 1 0 0 0 21 23 1 1 0 0 0 19 24 1 1 0 0 0 22 25 1 6 0 0 0 20 26 1 6 0 0 0 24 27 1 0 0 0 0 M END > CFN98663 > 8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen > 425680-98-4 > 98% > C17H16O10 > 380.3 > Powder > Coumarins > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/8-Hydroxy-5-O-beta-D-glucopyranosylpsoralen-CFN98663.html $$$$ -ISIS- 10201511232D 15 17 0 0 0 0 0 0 0 0999 V2000 4.9417 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 M END > CFN98772 > Bergaptol > 486-60-2 > 98% > C11H6O4 > 202.2 > Yellow powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Bergaptol-CFN98772.html $$$$ -ISIS- 10201511232D 16 18 0 0 0 0 0 0 0 0999 V2000 4.9417 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -7.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -5.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -7.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -4.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > CFN98766 > Bergapten > 484-20-8 > 98% > C12H8O4 > 216.2 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Bergapten-CFN98766.html $$$$ -ISIS- 10201511232D 17 19 0 0 0 0 0 0 0 0999 V2000 4.9250 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -7.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -7.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -8.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -5.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > CFN90591 > 8-Hydroxybergapten > 1603-47-0 > 98% > C12H8O5 > 232.19 > Cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/8-Hydroxybergapten-CFN90591.html $$$$ -ISIS- 10201511232D 18 20 0 0 0 0 0 0 0 0999 V2000 4.3958 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -6.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -7.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -4.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > CFN98752 > Isopimpinellin > 482-27-9 > 98% > C13H10O5 > 246.2 > Yellow powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isopimpinellin-CFN98752.html $$$$ -ISIS- 10201511232D 32 37 0 0 0 0 0 0 0 0999 V2000 4.9333 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -4.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -6.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -4.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -7.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -8.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -10.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -8.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -10.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0833 -8.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -6.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -10.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -9.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -8.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -6.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 -10.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -3.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -10.9583 0.0000 O 0 0 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 1 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 3 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 17 1 0 0 0 0 22 2 1 0 0 0 0 23 22 1 0 0 0 0 24 14 1 0 0 0 0 25 24 1 0 0 0 0 25 26 2 0 0 0 0 26 13 1 0 0 0 0 23 27 2 0 0 0 0 27 1 1 0 0 0 0 8 28 2 0 0 0 0 19 29 2 0 0 0 0 6 30 1 0 0 0 0 30 31 1 0 0 0 0 15 32 1 0 0 0 0 M END > CFN99893 > Rivulobirin B > 194145-29-4 > 98% > C23H12O9 > 432.3 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Rivulobirin-B-CFN99893.html $$$$ -ISIS- 10201511232D 20 22 0 0 0 0 0 0 0 0999 V2000 3.8667 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > CFN99107 > Isoimperatorin > 482-45-1 > 98% > C16H14O4 > 270.28 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isoimperatorin-CFN99107.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 3.9708 -9.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -10.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -11.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -10.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -9.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -9.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -11.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -10.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -9.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -9.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8708 -11.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -11.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -10.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -9.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -8.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -8.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -12.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -12.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > CFN90590 > Cnidilin > 14348-22-2 > 98% > C17H16O5 > 300.31 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Cnidilin-CFN90590.html $$$$ -ISIS- 10201511232D 21 24 0 0 0 0 0 0 0 0999 V2000 3.8667 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9792 -5.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9792 -6.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7583 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > CFN90350 > Oxypeucedanin > 737-52-0 > 98% > C16H14O5 > 286.28 > White powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Oxypeucedanin-CFN90350.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 4.9458 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9167 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -3.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1125 -2.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9083 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -3.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9083 -2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 18 22 1 0 0 0 0 M END > CFN90557 > Oxypeucedanin hydrate > 2643-85-8 > 98% > C16H16O6 > 304.29 > Cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Oxypeucedanin-hydrate-CFN90557.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 2.5333 -9.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -10.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -11.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -10.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -9.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -9.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -11.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -10.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -9.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -9.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -11.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -11.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 -10.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 -9.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -8.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -7.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > CFN90592 > Bergamotine > 7380-40-7 > 98% > C21H22O4 > 338.4 > Cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Bergamotine-CFN90592.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 3.8667 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -5.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3167 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8708 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5333 -4.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 21 26 1 0 0 0 0 M END > CFN98563 > Notopterol > 88206-46-6 > 98% > C21H22O5 > 354.40 > White cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Notopterol-CFN98563.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 3.8667 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0917 -5.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8708 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8708 -4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 -6.6542 0.0000 O 0 0 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 1 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 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 22 27 1 6 0 0 0 M END > CFN98307 > 6',7'-Dihydroxybergamottin > 264234-05-1 > 98% > C21H24O6 > 372.4 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/6-7-Dihydroxybergamottin-CFN98307.html $$$$ -ISIS- 10201511232D 30 33 0 0 0 0 0 0 0 0999 V2000 3.8667 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0917 -5.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5042 -6.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3917 -6.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7542 -5.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 -4.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7292 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 -7.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3917 -7.6250 0.0000 C 0 0 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 1 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 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 23 1 0 0 0 0 23 27 1 0 0 0 0 28 23 1 0 0 0 0 29 25 1 0 0 0 0 25 30 1 0 0 0 0 M END > CFN97165 > 6',7'-Dihydroxybergamottin acetonide > 684217-08-1 > 98% > C24H28O6 > 412.5 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/6-7-Dihydroxybergamottin-acetonide-CFN97165.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 3.8667 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -8.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -8.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -8.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -5.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -5.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0917 -5.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8708 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0917 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8708 -4.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 -6.6542 0.0000 O 0 0 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 1 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 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 22 29 1 6 0 0 0 M END > CFN97583 > 6'-Hydroxy-7'-ethoxybergamottin > N/A > 98% > C23H28O6 > 400.5 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/6-Hydroxy-7-ethoxybergamottin-CFN97583.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > CFN90495 > Phellopterin > 2543-94-4 > 98% > C17H16O5 > 300.3 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Phellopterin-CFN90495.html $$$$ -ISIS- 10201511232D 23 26 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 21 18 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > CFN98167 > Byakangelicol > 26091-79-2 > 98% > C17H16O6 > 316.31 > White cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Byakangelicol-CFN98167.html $$$$ -ISIS- 10201511232D 24 26 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 18 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > CFN98152 > Byakangelicin > 19573-01-4 > 98% > C17H18O7 > 334.32 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Byakangelicin-CFN98152.html $$$$ -ISIS- 10201511232D 23 25 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 17 21 1 6 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > CFN98462 > Neobyakangelicol > 35214-82-5 > 98% > C17H16O6 > 316.3 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Neobyakangelicol-CFN98462.html $$$$ -ISIS- 10201511232D 20 22 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 M END > CFN98758 > Imperatorin > 482-44-0 > 98% > C16H14O4 > 270.3 > Cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Imperatorin-CFN98758.html $$$$ -ISIS- 10201511232D 21 24 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 21 18 1 0 0 0 0 M END > CFN98354 > Heraclenin > 2880-49-1 > 98% > C16H14O5 > 286.3 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Heraclenin-CFN98354.html $$$$ -ISIS- 10201511232D 21 23 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 17 21 1 6 0 0 0 M END > CFN98890 > Isogosferol > 53319-52-1 > 98% > C16H14O5 > 286.3 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isogosferol-CFN98890.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -9.0750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 18 22 1 0 0 0 0 M END > CFN98929 > Isosaxalin > 55481-86-2 > 98% > C16H15ClO5 > 322.7 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isosaxalin-CFN98929.html $$$$ -ISIS- 10201511232D 22 24 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 18 22 1 0 0 0 0 M END > CFN98402 > Heraclenol > 31575-93-6 > 98% > C16H16O6 > 304.3 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Heraclenol-CFN98402.html $$$$ -ISIS- 10201511232D 25 28 0 0 0 0 0 0 0 0999 V2000 4.9250 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -5.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -5.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -5.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -5.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 -6.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 -7.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2792 -8.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0625 -7.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -8.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -9.2583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0917 -9.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -9.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -10.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 17 21 1 6 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M END > CFN97112 > Heraclenol acetonide > 64790-68-7 > 98% > C19H20O6 > 344.4 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Heraclenol-acetonide-CFN97112.html $$$$ -ISIS- 10201511232D 33 36 0 0 0 0 0 0 0 0999 V2000 3.7458 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -5.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -6.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1125 -8.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1125 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -8.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -8.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4792 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -8.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2667 -7.7083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4792 -7.2542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6917 -7.7083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4792 -6.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0583 -7.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8458 -8.6208 0.0000 O 0 0 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 1 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 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 18 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 23 22 1 1 0 0 0 27 29 1 1 0 0 0 25 30 1 1 0 0 0 28 31 1 6 0 0 0 26 32 1 6 0 0 0 30 33 1 0 0 0 0 M END > CFN98410 > Heraclenol 3'-O-beta-D-glucopyranoside > 32207-10-6 > 98% > C22H26O11 > 466.4 > Powder > Coumarins > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Heraclenol-3-O-beta-D-glucopyranoside-CFN98410.html $$$$ -ISIS- 10201511232D 42 46 0 0 0 0 0 0 0 0999 V2000 4.0042 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -4.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -4.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -4.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -4.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -5.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -7.1833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3667 -7.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3667 -8.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -7.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7250 -8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -7.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5125 -6.7292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7250 -6.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9375 -6.7292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7250 -5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -6.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -9.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7250 -9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -9.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -10.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1750 -10.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7333 -11.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -10.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -10.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -11.2417 0.0000 O 0 0 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 1 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 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 18 22 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 28 1 0 0 0 0 28 23 1 0 0 0 0 23 22 1 1 0 0 0 27 29 1 1 0 0 0 25 30 1 1 0 0 0 28 31 1 6 0 0 0 26 32 1 6 0 0 0 30 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 34 37 1 0 0 0 0 36 38 1 0 0 0 0 38 37 1 0 0 0 0 34 33 1 1 0 0 0 37 39 1 6 0 0 0 38 40 1 1 0 0 0 40 41 1 0 0 0 0 38 42 1 6 0 0 0 M END > CFN97243 > Heraclenol 3'-O-[beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside] > 765316-44-7 > 98% > C27H34O15 > 598.6 > Powder > Coumarins > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Heraclenol-3-O-beta-D-apiofuranosyl-1-6-beta-D-glucopyranoside-CFN97243.html $$$$ -ISIS- 10201511232D 43 48 0 0 0 0 0 0 0 0999 V2000 4.6625 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -6.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9000 -7.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9000 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -7.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -7.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1833 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -7.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9458 -8.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -9.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -10.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -7.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9458 -11.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -11.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -11.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -11.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -11.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2333 -10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9958 -10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9958 -11.5042 0.0000 C 0 0 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 1 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 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 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 18 20 1 0 0 0 0 18 21 1 0 0 0 0 17 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 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 26 30 1 6 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 31 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 32 1 0 0 0 0 37 40 2 0 0 0 0 41 35 1 0 0 0 0 42 41 1 0 0 0 0 42 43 2 0 0 0 0 34 43 1 0 0 0 0 M END > CFN98247 > Rivulobirin E > 237407-59-9 > 98% > C32H30O11 > 590.6 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Rivulobirin-E-CFN98247.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 3.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6333 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1958 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1958 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 18 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M END > CFN97225 > 8-Geranyloxypsoralen > 7437-55-0 > 98% > C21H22O4 > 338.4 > Cryst. > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/8-Geranyloxypsoralen-CFN97225.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 3.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6333 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -7.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1958 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1958 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 18 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 M END > CFN98033 > Lansiumarin C > 205115-75-9 > 98% > C21H22O5 > 354.4 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Lansiumarin-C-CFN98033.html $$$$ -ISIS- 10201511232D 27 29 0 0 0 0 0 0 0 0999 V2000 3.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6333 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -7.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1958 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1958 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1917 -5.8667 0.0000 O 0 0 0 0 0 0 0 0 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 1 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 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 18 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 1 2 2 0 0 0 0 26 27 1 0 0 0 0 G 26 21 OOH M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 27 M SMT 1 OOH M SBV 1 27 0.0000 -0.9000 M END > CFN99631 > 8-(6-Hydroperoxy-3,7-dimethyl-2,7-octadienyloxy)psoralen > 151121-39-0 > 98% > C21H22O6 > 370.4 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/8-6-Hydroperoxy-3-7-dimethyl-2-7-octadienyloxy-psoralen-CFN99631.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 3.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6333 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1958 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1958 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 18 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 21 26 2 0 0 0 0 M END > CFN98032 > Lansiumarin A > 205115-73-7 > 98% > C21H20O5 > 352.4 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Lansiumarin-A-CFN98032.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 3.9542 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -6.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -7.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6333 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4125 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1958 -7.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0750 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1958 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -8.1167 0.0000 O 0 0 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 1 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 8 11 2 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 13 14 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 18 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 M END > CFN99485 > 8-(7-Hydroxy-3,7-dimethyl-2,5-octadienyloxy)psoralen > 144398-34-5 > 98% > C21H22O5 > 354.4 > Powder > Coumarins > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/8-7-Hydroxy-3-7-dimethyl-2-5-octadienyloxy-psoralen-CFN99485.html $$$$