Mrv0541 10221206552D 65 72 0 0 0 0 999 V2000 -4.5630 -0.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2775 -0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2775 -1.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 -1.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8485 -1.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8485 -0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1341 -0.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -1.8356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4196 -1.4231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4196 -0.5980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7051 -0.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 -0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9919 -0.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 -2.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 1.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 -0.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 -2.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -5.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -4.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1603 -3.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 -4.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 -5.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 -5.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 -6.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5892 -5.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5892 -6.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8747 -6.8175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8747 -7.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 -8.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 -8.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5892 -8.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5892 -8.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 -9.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7313 -3.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 -10.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3036 -9.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5893 -3.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7326 -6.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7326 -5.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4471 -5.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1615 -5.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1615 -6.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 -7.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 -5.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 -7.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4471 -4.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0181 -7.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0181 -8.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3036 -6.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -3.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -3.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -4.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -5.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 -4.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 -3.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -5.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5364 -5.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3215 -5.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 -2.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 1.8770 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 53 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 8 24 1 1 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 42 47 1 0 0 0 0 45 48 1 0 0 0 0 46 49 1 0 0 0 0 44 50 1 0 0 0 0 42 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 54 59 1 0 0 0 0 57 60 1 0 0 0 0 58 61 1 0 0 0 0 56 62 1 0 0 0 0 54 63 1 0 0 0 0 63 64 2 0 0 0 0 63 18 1 0 0 0 0 12 65 1 0 0 0 0 M END > CHEM033092 > chemdb > OC1=CC2=C([C@@H]([C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C(O)=C2)C2=C(O)C3=C(O[C@@H]([C@@H](C3)OC(=O)C3=CC(O)=C(O)C(O)=C3)C3=CC=C(O)C(O)=C3)C=C2O)C(O)=C1 > InChI=1S/C44H34O21/c45-18-10-22(48)33-31(11-18)63-41(15-4-24(50)37(57)25(51)5-15)42(65-44(61)17-8-28(54)39(59)29(55)9-17)35(33)34-23(49)13-30-19(36(34)56)12-32(40(62-30)14-1-2-20(46)21(47)3-14)64-43(60)16-6-26(52)38(58)27(53)7-16/h1-11,13,32,35,40-42,45-59H,12H2/t32-,35-,40-,41-,42-/m1/s1 > KRHJUZZZEMFSIW-XREIVNNOSA-N > C44H34O21 > 898.7282 > 898.15925815 > 19 > 85.95053338800201 > 0 > 15 > 0 > 0 > (2R,3R,4S)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 3.76 > 5.981387459333333 > -3.73 > 1 > 8 > 0 > 8.320258448291035 > 7.771058805508238 > -5.548931352793802 > 374.51000000000005 > 220.01830000000007 > 9 > 0 > 1.66e-01 g/l > (2R,3R,4S)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 0 > Epigallocatechin-(4beta->6)-epicatechin 3,3'-digallate > 126715-92-2 $$$$