Marvin 09191313322D 43 48 0 0 1 0 999 V2000 4.6287 -7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3432 -7.0748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6287 -8.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3432 -8.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0576 -8.3122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0576 -7.4873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9143 -7.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9143 -8.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 -8.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 -7.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 -8.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9143 -9.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 -7.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 -7.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 -6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 -7.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 -5.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2012 -7.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2012 -6.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9157 -5.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9157 -7.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9136 -5.5303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9050 -3.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6221 -4.2912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6273 -5.1189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1930 -4.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4883 -5.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7761 -5.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7766 -4.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4854 -3.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -3.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 -5.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3311 -3.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 -3.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0371 -2.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7546 -3.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7564 -3.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0441 -4.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4714 -4.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4675 -2.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 -6.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 -1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 7 1 1 0 0 0 0 6 2 1 0 0 0 0 4 3 1 0 0 0 0 8 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 5 11 1 6 0 0 0 6 14 1 6 0 0 0 10 7 2 0 0 0 0 9 8 2 0 0 0 0 12 8 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 18 21 1 0 0 0 0 22 27 1 0 0 0 0 22 25 1 0 0 0 0 26 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 22 7 1 1 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 30 32 1 0 0 0 0 25 33 1 6 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 24 34 1 6 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 28 42 1 0 0 0 0 36 43 1 0 0 0 0 M END > CHEBI:75669 > (-)-epigallocatechin-(4beta->8)-(-)-epicatechin > A proanthocyanidin consisting of (−)-epigallocatechin and (−)-epicatechin units joined by a (4β→8)-linkage. > 3 > (2R,2'R,3R,3'R,4R)-2'-(3,4-dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2N,2'N-4,8'-bichromene-3,3',5,5',7,7'-hexol > C30H26O13 > 594.51960 > 594.13734 > 0 > O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 > InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25-,27-,28-,29-/m1/s1 > ZYDDITZPGFXQSD-GYPOYYOSSA-N > 7852782 $$$$