-ISIS- 10201511232D 26 27 0 0 0 0 0 0 0 0999 V2000 5.1833 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -7.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2500 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -6.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 4 12 2 0 0 0 0 13 14 1 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 14 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 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 16 26 2 0 0 0 0 13 15 1 6 0 0 0 M END > CFN99103 > Rosmarinic acid > 20283-92-5 > 98% > C18H16O8 > 360.31 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rosmarinic-acid-CFN99103.html $$$$ -ISIS- 10201511232D 27 28 0 0 0 0 0 0 0 0999 V2000 5.1833 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -7.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2500 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -6.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 4 12 2 0 0 0 0 13 14 1 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 14 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 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 16 26 2 0 0 0 0 13 15 1 6 0 0 0 17 27 1 0 0 0 0 M END > CFN97567 > Methyl rosmarinate > 99353-00-1 > 98% > C19H18O8 > 374.4 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Methyl-rosmarinate-CFN97567.html $$$$ -ISIS- 10201511232D 30 31 0 0 0 0 0 0 0 0999 V2000 5.1833 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -7.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2500 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -6.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -4.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 4 12 2 0 0 0 0 13 14 1 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 14 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 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 16 26 2 0 0 0 0 13 15 1 6 0 0 0 5 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 M END > CFN90223 > Salvianolic acid D > 142998-47-8 > 98% > C20H18O10 > 492.44 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Salvianolic-acid-D-CFN90223.html $$$$ -ISIS- 10201511232D 36 38 0 0 0 0 0 0 0 0999 V2000 5.1833 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -7.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2500 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -6.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 4 12 2 0 0 0 0 13 14 1 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 14 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 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 16 26 2 0 0 0 0 13 15 1 6 0 0 0 5 27 1 0 0 0 0 27 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 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 32 35 1 0 0 0 0 31 36 1 0 0 0 0 M END > CFN99161 > Salvianolic acid A > 96574-01-5 > 98% > C26H22O10 > 494.45 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Salvianolic-acid-A-CFN99161.html $$$$ -ISIS- 10201511232D 37 39 0 0 0 0 0 0 0 0999 V2000 5.1833 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -5.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -7.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2500 -7.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -6.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 -8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6417 -8.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 -10.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3208 -9.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -9.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 4 12 2 0 0 0 0 13 14 1 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 14 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 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 16 26 2 0 0 0 0 13 15 1 6 0 0 0 5 27 1 0 0 0 0 27 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 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 32 35 1 0 0 0 0 31 36 1 0 0 0 0 17 37 1 0 0 0 0 M END > CFN92564 > Methyl salvionolate A > 1015171-69-3 > 98% > C27H24O10 > 508.5 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Methyl-salvionolate-A-CFN92564.html $$$$ -ISIS- 10201511232D 36 39 0 0 0 0 0 0 0 0999 V2000 4.8750 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -7.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -5.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -8.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -3.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6208 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -4.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -4.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -5.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -4.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -4.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -7.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -7.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -6.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -8.4667 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 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 19 20 2 0 0 0 0 20 15 1 0 0 0 0 13 21 1 1 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 4 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 5 1 0 0 0 0 27 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 28 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 M END > CFN92565 > Isosalvianolic acid C > 142115-17-1 > 98% > C26H20O10 > 492.4 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Isosalvianolic-acid-C-CFN92565.html $$$$ -ISIS- 10201511232D 36 39 0 0 0 0 0 0 0 0999 V2000 4.3333 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -3.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0792 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -4.5792 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 7 4 1 0 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 5 9 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 13 16 1 0 0 0 0 8 10 1 0 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 24 32 1 1 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 M END > CFN98553 > Salvianolic acid C > 115841-09-3 > 98% > C26H20O10 > 492.44 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Salvianolic-acid-C-CFN98553.html $$$$ -ISIS- 10201511232D 39 42 0 0 0 0 0 0 0 0999 V2000 4.3333 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3417 -5.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0917 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -3.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0792 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -5.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -4.4292 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 7 4 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 13 16 1 0 0 0 0 8 10 1 1 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 24 32 1 6 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 9 37 1 6 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 M END > CFN98546 > Lithospermic acid > 28831-65-4 > 98% > C27H22O12 > 538.46 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Lithospermic-acid-CFN98546.html $$$$ -ISIS- 10201511232D 52 56 0 0 0 0 0 0 0 0999 V2000 4.3333 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3417 -5.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0917 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -5.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -4.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -3.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0792 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -4.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2417 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3083 -4.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0833 -3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2458 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6958 -2.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0208 -2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -3.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -4.5792 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 7 4 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 13 16 1 0 0 0 0 8 10 1 6 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 9 19 1 1 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 6 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 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 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 29 1 0 0 0 0 27 35 1 1 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 20 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 40 1 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 38 48 1 1 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 35 51 2 0 0 0 0 35 52 1 0 0 0 0 M END > CFN99332 > Salvianolic acid B > 115939-25-8 > 98% > C36H30O16 > 718.62 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Salvianolic-acid-B-CFN99332.html $$$$ -ISIS- 10201511232D 53 56 0 0 0 0 0 0 0 0999 V2000 4.3333 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -7.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -6.7458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3417 -5.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0917 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -8.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -6.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -8.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -6.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -5.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -4.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -3.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0792 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -4.8750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2417 -5.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3083 -4.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0833 -3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2458 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6958 -2.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0208 -2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7917 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -4.5792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3417 -3.8125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3875 -3.7083 0.0000 Mg 0 2 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 7 4 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 13 16 1 0 0 0 0 8 10 1 0 0 0 0 3 17 1 0 0 0 0 14 18 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 6 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 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 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 29 1 0 0 0 0 27 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 20 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 40 1 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 38 48 1 0 0 0 0 48 49 2 0 0 0 0 48 52 1 0 0 0 0 35 50 2 0 0 0 0 35 51 1 0 0 0 0 1 2 2 0 0 0 0 G 52 48 O-Mg2+ M CHG 3 51 -1 52 -1 53 2 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 1 52 M SBL 1 1 53 M SMT 1 O-Mg2+ M SBV 1 53 0.8300 -0.2200 M END > CFN90390 > Monomethyl lithospermate B > 122021-74-3 > 98% > C36H28MgO16 > 740.90 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Monomethyl-lithospermate-B-CFN90390.html $$$$ -ISIS- 10201511232D 21 22 0 0 0 0 0 0 0 0999 V2000 2.9208 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -5.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -8.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -9.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -10.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9167 -8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -8.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 8 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 8 1 0 0 0 0 18 15 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 18 21 2 0 0 0 0 M END > CFN99662 > Isomagnolone > 155709-41-4 > 98% > C18H18O3 > 282.3 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Isomagnolone-CFN99662.html $$$$ -ISIS- 10201511232D 27 28 0 0 0 0 0 0 0 0999 V2000 7.2167 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4250 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -8.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2167 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -7.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -6.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -8.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -9.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -8.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -8.8083 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 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 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 10 9 1 1 0 0 0 13 24 1 6 0 0 0 8 25 2 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > CFN99752 > Myrislignan > 171485-39-5 > 98% > C21H26O6 > 374.43 > White powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Myrislignan-CFN99752.html $$$$ -ISIS- 10201511232D 27 28 0 0 0 0 0 0 0 0999 V2000 6.4292 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -7.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6375 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -7.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4292 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -7.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 -7.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -7.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 -4.5042 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 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 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 10 9 1 0 0 0 0 13 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 8 27 2 0 0 0 0 M END > CFN92657 > 1-(3,4-dimethoxyphenyl)-2-(4-allly-2,6-dimethoxyphenoxy)propan-1-ol > 41535-95-9 > 98% > C21H26O6 > 374.4 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/1-3-4-dimethoxyphenyl-2-4-allly-2,6-dimethoxyphenoxy-propan-1-ol-CFN92657.html $$$$ -ISIS- 10201511232D 26 27 0 0 0 0 0 0 0 0999 V2000 7.1917 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -6.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9958 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1708 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -6.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -7.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4042 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -8.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -6.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 -8.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 -7.6292 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 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 2 11 1 0 0 0 0 11 12 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 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 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 16 26 1 0 0 0 0 M END > CFN97728 > 4,9,9'-Trihydroxy-3,3'-dimethoxy-8,4'-oxyneolignan > 53505-68-3 > 98% > C20H26O6 > 362.42 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/4-9-9-Trihydroxy-3-3-dimethoxy-8-4-oxyneolignan-CFN97728.html $$$$ -ISIS- 10201511232D 27 28 0 0 0 0 0 0 0 0999 V2000 7.2167 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2125 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 -6.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4250 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -8.8000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2167 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -7.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -6.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -8.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -8.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -9.7208 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 2 11 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 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 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 16 26 1 0 0 0 0 12 11 1 6 0 0 0 15 27 1 1 0 0 0 M END > CFN97457 > erythro-Guaiacylglycerol beta-coniferyl ether > 890317-92-7 > 98% > C20H24O7 > 376.4 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/erythro-Guaiacylglycerol-beta-coniferyl-ether-CFN97457.html $$$$ -ISIS- 10201511232D 27 28 0 0 0 0 0 0 0 0999 V2000 7.2167 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6125 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2125 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 -6.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4250 -5.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -8.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2167 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 -7.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -6.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -7.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -8.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -6.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -8.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -8.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -9.7208 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 2 11 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 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 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 16 26 1 0 0 0 0 12 11 1 6 0 0 0 15 27 1 6 0 0 0 M END > CFN97431 > threo-Guaiacylglycerol beta-coniferyl ether > 869799-76-8 > 98% > C20H24O7 > 376.4 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/threo-Guaiacylglycerol-beta-coniferyl-ether-CFN97431.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 7.1833 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -9.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5583 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1417 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9333 -8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -7.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -8.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6000 -9.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3917 -9.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -9.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -9.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 2 1 0 0 0 0 12 15 1 6 0 0 0 13 16 1 1 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 M END > CFN99494 > 4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan > 144881-21-0 > 98% > C19H22O6 > 346.4 > Oil > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/4-9-9-Trihydroxy-3-methoxy-3-7-epoxy-4-8-oxyneolignan-CFN99494.html $$$$ -ISIS- 10201511232D 29 31 0 0 0 0 0 0 0 0999 V2000 7.1833 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -9.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -9.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5583 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 -10.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -10.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1417 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9333 -8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 -7.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -8.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6000 -9.0042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3917 -9.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -9.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -6.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -6.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -5.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 -7.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -9.0042 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 7 8 2 0 0 0 0 8 5 1 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 1 13 1 0 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 2 1 0 0 0 0 14 17 1 1 0 0 0 15 18 1 6 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 20 24 1 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > CFN99809 > Nitidanin > 171674-89-8 > 98% > C21H24O8 > 404.4 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Nitidanin-CFN99809.html $$$$ -ISIS- 10201511232D 51 54 0 0 0 0 0 0 0 0999 V2000 4.9958 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -8.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -9.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1125 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8500 -8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8500 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1125 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3792 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5917 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -7.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -8.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -6.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9958 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -5.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7875 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -4.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -3.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -4.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -6.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -5.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -4.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -7.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -5.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -6.2125 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 1 22 1 0 0 0 0 6 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 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 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 39 42 1 0 0 0 0 30 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 30 1 0 0 0 0 29 48 1 6 0 0 0 45 49 1 0 0 0 0 44 50 1 0 0 0 0 50 51 1 0 0 0 0 M END > CFN98636 > Dadahol A > 405281-76-7 > 98% > C39H38O12 > 698.7 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Dadahol-A-CFN98636.html $$$$ -ISIS- 10201511232D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.7042 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9542 -7.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -3.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -4.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -6.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -4.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -6.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 7 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 M END > CFN92330 > Caffeic anhydride > 854237-32-4 > 98% > C18H14O7 > 342.3 > Powder > Phenylpropanoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Caffeic-anhydride-CFN92330.html $$$$