-ISIS- 05031710462D 49 52 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 2.9250 -8.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -9.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -7.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -10.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -10.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -11.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -12.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -11.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -10.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -12.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -13.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -6.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -6.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2417 -6.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 -8.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4292 -9.0167 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 -6.6667 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 -0.3292 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -6.6667 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 -6.6667 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 -8.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9542 -9.0167 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 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 9 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 39 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 42 1 0 0 0 0 45 48 1 0 0 0 0 46 49 1 0 0 0 0 M END > CFN90238 > 3,4,5-Tricaffeoylquinic acid > 86632-03-3 > 98% > C34H30O15 > 678.59 > Powder > Phenylpropanoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/3-4-5-Tricaffeoylquinic-acid-CFN90238.html $$$$