-ISIS- 05031710462D 38 40 0 0 0 0 0 0 0 0999 V2000 4.3042 -3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -4.7458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0458 -5.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7958 -4.7458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7958 -3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -3.4542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5333 -5.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -5.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -1.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -6.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -8.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -9.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -9.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -10.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -9.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -9.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -10.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 -11.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -3.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7667 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5125 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9958 -6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9958 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7417 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -7.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -1.9667 0.0000 C 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 8 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 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 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 7 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 32 37 1 0 0 0 0 12 38 1 0 0 0 0 M END > CFN90856 > 3,4-Di-O-caffeoylquinic methyl ester > 114637-83-1 > 98% > C26H26O12 > 530.5 > Powder > Alkaloids > Pyridine, DMSO, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/3-4-Di-O-caffeoylquinic-methyl-ester-CFN90856.html $$$$