-ISIS- 05031710462D 38 40 0 0 0 0 0 0 0 0999 V2000 7.2833 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -4.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0958 -5.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9125 -4.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9125 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -3.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7208 -5.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -5.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -5.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -7.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -8.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -10.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -10.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -10.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -11.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -3.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -5.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -6.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -6.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -7.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -1.5500 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 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 > CFN90858 > 4,5-Di-O-caffeoylquinic acid methyl ester > 188742-80-5 > 98% > C26H26O12 > 530.5 > Powder > Phenylpropanoids > Pyridine, DMSO, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/4-5-Di-O-caffeoylquinic-acid-methyl-ester-CFN90858.html $$$$