Marvin 09131316322D 42 47 0 0 1 0 999 V2000 9.7833 -31.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7821 -30.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4970 -30.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4952 -31.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2105 -31.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2140 -30.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9330 -30.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6535 -30.4944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6500 -31.3275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9263 -31.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4927 -32.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3633 -31.7422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3665 -30.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3674 -29.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0822 -28.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7965 -29.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7916 -30.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0764 -30.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5035 -30.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5127 -28.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4963 -28.5333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4877 -26.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2047 -27.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2099 -28.1219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7758 -27.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7793 -28.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0711 -28.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 -28.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3595 -27.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0682 -26.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6454 -26.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9255 -28.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9137 -26.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 -26.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6196 -25.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3371 -26.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3388 -26.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6267 -27.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0538 -27.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0500 -25.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0673 -30.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0737 -29.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 19 1 0 0 0 0 8 9 1 0 0 0 0 16 20 1 0 0 0 0 21 26 1 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 4 11 1 0 0 0 0 21 24 1 0 0 0 0 25 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 21 3 1 1 0 0 0 2 3 1 0 0 0 0 25 26 2 0 0 0 0 9 12 1 1 0 0 0 26 27 1 0 0 0 0 3 6 2 0 0 0 0 27 28 2 0 0 0 0 1 2 2 0 0 0 0 28 29 1 0 0 0 0 13 14 2 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 5 4 2 0 0 0 0 14 15 1 0 0 0 0 29 31 1 0 0 0 0 4 1 1 0 0 0 0 24 32 1 6 0 0 0 15 16 2 0 0 0 0 5 10 1 0 0 0 0 33 34 2 0 0 0 0 16 17 1 0 0 0 0 34 35 1 0 0 0 0 6 7 1 0 0 0 0 35 36 2 0 0 0 0 17 18 2 0 0 0 0 36 37 1 0 0 0 0 18 13 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 23 33 1 6 0 0 0 8 13 1 6 0 0 0 37 39 1 0 0 0 0 7 8 1 0 0 0 0 36 40 1 0 0 0 0 2 41 1 0 0 0 0 27 42 1 0 0 0 0 M END > CHEBI:75633 > procyanidin B1 > A proanthocyanidin consisting of (−)-epicatechin and (+)-catechin units joined by a bond between positions 4 and 8' respectively in a β-configuration.. Procyanidin B1 can be found in Cinnamomum verum (Ceylon cinnamon, in the rind, bark or cortex), in Uncaria guianensis (cat's claw, in the root), and in Vitis vinifera (common grape vine, in the leaf) or in peach. > 3 > Procyanidin dimer B1; Proanthocyanidin B1; Epicatechin-(4beta->8)-ent-epicatechin; Epicatechin(4beta->8)catechin; Endotelon; EC-(4b,8)-C > (2R,2'R,3R,3'S,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol > C30H26O12 > 578.52020 > 578.14243 > 0 > O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 > InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1 > XFZJEEAOWLFHDH-UKWJTHFESA-N > 82262-99-5 > 1339969 > C10221 > C00002917 > LMPK12030001 > Procyanidin_B1 > 21405989; 22227333; 22473647; 23993614; 24250715 $$$$