Mrv0541 10221207112D 65 72 0 0 0 0 999 V2000 -8.9837 -2.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6982 -2.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6982 -3.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9837 -3.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2692 -3.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2692 -2.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5548 -2.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5548 -3.7545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8403 -3.3419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8403 -2.5169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1258 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4113 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1258 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4113 -2.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6969 -2.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6968 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4125 -2.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 -3.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 -0.8669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 -2.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9837 -4.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4091 -6.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1236 -6.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1236 -7.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4091 -7.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6947 -7.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6947 -6.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9802 -6.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9802 -7.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2657 -7.5582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2657 -6.7332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5513 -6.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -5.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5513 -5.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -6.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1223 -6.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1223 -5.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8381 -6.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 -5.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 -6.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4091 -8.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -4.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -9.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5513 -9.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5513 -10.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -10.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 -10.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 -9.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -11.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4079 -10.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2658 -10.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -8.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 -7.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5513 -7.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 -3.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 -4.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 -4.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 -4.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 -3.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 -2.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 -4.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 -2.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 -5.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 -2.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8114 -1.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 7 6 1 0 0 0 0 6 5 2 0 0 0 0 5 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 13 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 2 17 1 0 0 0 0 9 18 1 6 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 4 21 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 27 26 2 0 0 0 0 26 29 1 0 0 0 0 28 27 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 6 0 0 0 31 32 1 6 0 0 0 34 32 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 37 2 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 39 1 0 0 0 0 33 42 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 43 48 1 0 0 0 0 46 49 1 0 0 0 0 47 50 1 0 0 0 0 45 51 1 0 0 0 0 43 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 55 60 1 0 0 0 0 58 61 1 0 0 0 0 59 62 1 0 0 0 0 57 63 1 0 0 0 0 55 64 1 0 0 0 0 64 65 2 0 0 0 0 64 18 1 0 0 0 0 8 22 1 1 0 0 0 M END > CHEM032635 > chemdb > OC1=CC2=C([C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC=C(O)C(O)=C2)C2=C(O)C=C(O)C3=C2O[C@@H]([C@@H](C3)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C(O)=C2)C(O)=C1 > InChI=1S/C44H34O21/c45-18-10-23(49)33-31(11-18)62-40(14-1-2-20(46)22(48)3-14)42(65-44(61)17-8-29(55)38(59)30(56)9-17)35(33)34-24(50)13-21(47)19-12-32(63-43(60)16-6-27(53)37(58)28(54)7-16)39(64-41(19)34)15-4-25(51)36(57)26(52)5-15/h1-11,13,32,35,39-40,42,45-59H,12H2/t32-,35-,39-,40-,42-/m1/s1 > FUNWNVWJOMCWIL-WZPNJOEPSA-N > C44H34O21 > 898.7282 > 898.15925815 > 19 > 84.06535863043757 > 0 > 15 > 0 > 0 > (2R,3R,4R)-4-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 3.75 > 5.981387459333333 > -3.72 > 1 > 8 > 0 > 8.32026377286884 > 7.771061132953241 > -5.548931352822994 > 374.51 > 220.0183000000001 > 9 > 0 > 1.73e-01 g/l > (2R,3R,4R)-4-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > Epicatechin-(4beta->8)-epigallocatechin 3,3'-digallate > 126715-90-0 $$$$