-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 1.2958 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 -6.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 -5.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -6.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9542 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 -6.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 -7.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9542 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -7.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5792 -6.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5792 -8.0792 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 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 9 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 20 24 1 0 0 0 0 21 25 1 0 0 0 0 11 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 > CFN99123 > 1,5-Dicaffeoylquinic acid > 30964-13-7 > 98% > C25H24O12 > 516.45 > White powder > Phenolic Acids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/1-5-Dicaffeoylquinic-acid-CFN99123.html $$$$