-ISIS- 05031710462D 38 40 0 0 0 0 0 0 0 0999 V2000 4.4375 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -6.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2500 -7.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0667 -6.6958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0667 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -5.2833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8750 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -7.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 -4.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -3.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -7.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -7.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7542 -7.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -6.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5667 -8.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -9.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -5.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -6.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0667 -8.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -9.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -3.6583 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 7 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 21 24 1 0 0 0 0 20 25 1 0 0 0 0 9 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 12 38 1 0 0 0 0 M END > CFN90857 > 3,5-Di-O-caffeoylquinic methyl ester > 159934-13-1 > 98% > C26H26O12 > 530.5 > Powder > Phenylpropanoids > Pyridine, DMSO, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/3-5-Di-O-caffeoylquinic-methyl-ester-CFN90857.html $$$$