Marvin 09161315402D 63 71 0 0 1 0 999 V2000 18.0914 -6.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0914 -7.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3769 -6.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3769 -8.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6625 -6.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6625 -7.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5204 -6.8187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5204 -7.6437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8059 -6.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8059 -8.0562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2349 -6.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2349 -5.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9494 -6.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9494 -5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6638 -6.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6638 -5.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9480 -6.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3769 -8.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2349 -8.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3783 -5.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3783 -6.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6678 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6678 -4.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9533 -3.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9533 -4.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2388 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2388 -4.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0968 -3.6927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0968 -4.5177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3823 -3.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3823 -4.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8112 -3.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8112 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5258 -3.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5258 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2402 -3.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2402 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5243 -3.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9533 -5.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8112 -4.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9546 -2.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9546 -3.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5152 -9.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5152 -10.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8006 -9.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8006 -11.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0862 -9.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0862 -10.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9441 -9.9447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9441 -10.7697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2296 -9.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2296 -11.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6585 -9.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6585 -8.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3731 -9.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3731 -8.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0875 -9.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0875 -8.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3717 -9.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8006 -12.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6585 -11.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8020 -8.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8020 -9.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 7 11 1 6 0 0 0 5 17 1 0 0 0 0 4 18 1 0 0 0 0 8 19 1 6 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 24 22 2 0 0 0 0 25 23 2 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 27 26 2 0 0 0 0 29 28 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 23 22 1 0 0 0 0 33 32 1 0 0 0 0 34 32 2 0 0 0 0 35 33 2 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 37 36 2 0 0 0 0 28 32 1 6 0 0 0 26 38 1 0 0 0 0 25 39 1 0 0 0 0 29 40 1 6 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 31 3 1 1 0 0 0 45 43 2 0 0 0 0 46 44 2 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 48 47 2 0 0 0 0 50 49 1 0 0 0 0 51 49 1 0 0 0 0 52 50 1 0 0 0 0 43 51 1 0 0 0 0 44 52 1 0 0 0 0 44 43 1 0 0 0 0 54 53 1 0 0 0 0 55 53 2 0 0 0 0 56 54 2 0 0 0 0 57 55 1 0 0 0 0 58 56 1 0 0 0 0 58 57 2 0 0 0 0 49 53 1 6 0 0 0 47 59 1 0 0 0 0 46 60 1 0 0 0 0 50 61 1 6 0 0 0 58 62 1 0 0 0 0 57 63 1 0 0 0 0 10 45 1 1 0 0 0 M END > CHEBI:75643 > procyanidin C1 > A proanthocyanidin consisting of three (−)-epicatechin units joined by two successive (4β→8)-linkages. > 3 > Procyanidol C1; Procyanidin trimer C1; Procyanidin C1; Proanthocyanidin C1; Proanthocyanidin C1; Epicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechin; EC-(4b,8)-EC-(4b,8)-EC; Cinnamtannin A1; [Epicatechin-(4beta->8)]2-epicatechin; [Epicatechin(4b->8)]2-epicatechin > (2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',5,5',5'',7,7',7''-nonol > C45H38O18 > 866.77240 > 866.20581 > 0 > O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 > InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1 > MOJZMWJRUKIQGL-XILRTYJMSA-N > 37064-30-5 > 3647705 > 37064-30-5 > C17624 > Procyanidin_C1 > 18594151; 22000800; 22071171; 22796647; 23057780; 23222867; 23261363; 23459328; 23770004; 23870988; 24141365 $$$$