-ISIS- 05031710462D 37 39 0 0 0 0 0 0 0 0999 V2000 2.9250 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -6.1958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7375 -6.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5542 -6.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5542 -5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -4.7833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3625 -6.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -7.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 -6.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 -3.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -3.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 -5.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7708 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1083 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -1.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -8.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -7.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -9.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -8.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -6.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -8.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -6.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -8.0708 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 8 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 29 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 34 37 1 0 0 0 0 M END > CFN99122 > 1,4-Dicaffeoylquinic acid > 1182-34-9 > 98% > C25H24O12 > 516.46 > White powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/1-3-Dicaffeoylquinic-acid--CFN99122.html $$$$