131752570 CDK 0520221500 34 36 0 0 0 0 0 0 0 0999 V2000 3.5219 0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 3.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 3.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -3.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -3.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -3.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -3.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 18 1 0 0 0 0 7 19 2 0 0 0 0 8 20 2 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:192006 > 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside > 2 > [4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate > C22H22O12 > 478.406 > 478.11113 > 0 > O1C(C(O)C(O)C(OC(=O)/C=C\C2=CC=C(O)C=C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)CO > InChI=1S/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3- > SWCFDHFIUQJCLJ-UTCJRWHESA-N $$$$