Marvin 03081313392D 42 47 0 0 0 0 999 V2000 -1.3270 -0.5120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0343 -0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -0.1068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0276 0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -0.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6024 0.7138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0981 -0.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3098 1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7383 1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1703 1.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 1.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 1.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 1.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 0.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 2.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3236 -1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6127 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 -2.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1015 -1.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 -2.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0947 -2.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -2.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8158 -1.7552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8124 -2.5827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3236 -3.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5232 -2.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5302 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 -1.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5335 -0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9621 -1.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 -0.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9655 -0.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 -1.7689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 -0.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7538 -1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4681 -0.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 6 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 1 0 0 0 4 9 1 0 0 0 0 4 8 1 0 0 0 0 5 10 2 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 6 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 28 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 6 0 0 0 30 32 1 6 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 38 40 1 0 0 0 0 M END > CHEBI:27589 > procyanidin B4 > A proanthocyanidin obtained by the condensation of (−)-epicatechin and (+)-catechin units. > 3 > CHEBI:8447; CHEBI:26268 > Procyanidin B4; catechin-(4alpha->8)-epicatechin > (2R,2'R,3S,3'R,4S)-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-/m1/s1 > XFZJEEAOWLFHDH-VUGKQVTMSA-N > 29106-51-2 > 3647174 > 29106-51-2 > C10238 > C00002935 > LMPK12030004 > Procyanidin_B4 > 17638329; 17851427; 22253995; 22320845 $$$$