-ISIS- 05031710462D 37 39 0 0 0 0 0 0 0 0999 V2000 5.1167 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -8.0250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9042 -8.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7000 -8.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7000 -7.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -6.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4875 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -9.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -8.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -5.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4833 -6.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4208 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9458 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3542 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -8.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -7.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4208 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2167 -9.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2167 -8.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4208 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0042 -9.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4208 -10.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 1 0 0 0 3 8 1 6 0 0 0 2 9 1 6 0 0 0 6 10 1 1 0 0 0 6 11 1 6 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 16 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 21 24 1 0 0 0 0 20 25 1 0 0 0 0 7 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 26 29 2 0 0 0 0 28 30 1 0 0 0 0 30 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 30 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 M END > CFN90937 > 1,3-Dicaffeoylquinic acid > 19870-46-3 > 98% > C25H24O12 > 516.5 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/1-3-Dicaffeoylquinic-acid-CFN90937.html $$$$