CDK 9/10/12,15:50 55 61 0 0 0 0 0 0 0 0999 V2000 -0.6742 -1.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6742 -0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 -3.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 -0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -1.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6701 1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3946 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7622 1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -2.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1024 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6827 -3.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 -3.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 1.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -3.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1861 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 2.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 -0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -1.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4448 -3.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1652 -1.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 -2.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1024 1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 -0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2866 -1.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 -1.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 2.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6827 -4.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 -0.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 -2.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 0.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 3.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1568 -3.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 1.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 -4.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8693 -4.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 -4.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 -5.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -6.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 -5.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 -4.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0084 -4.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0111 -6.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 -6.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 12 1 6 0 0 0 13 6 1 0 0 0 0 13 14 1 6 0 0 0 15 5 2 0 0 0 0 16 4 1 0 0 0 0 17 4 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 11 1 0 0 0 0 21 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 24 29 1 0 0 0 0 25 13 1 0 0 0 0 26 12 2 0 0 0 0 27 12 1 0 0 0 0 28 14 1 0 0 0 0 29 14 2 0 0 0 0 30 9 2 0 0 0 0 31 15 1 0 0 0 0 32 31 2 0 0 0 0 10 33 1 6 0 0 0 34 11 1 0 0 0 0 35 15 1 0 0 0 0 36 18 1 0 0 0 0 37 16 1 0 0 0 0 38 19 1 0 0 0 0 39 24 1 0 0 0 0 40 21 1 0 0 0 0 41 23 1 0 0 0 0 42 22 1 0 0 0 0 25 43 1 6 0 0 0 44 32 1 0 0 0 0 16 20 2 0 0 0 0 7 9 1 0 0 0 0 25 17 1 0 0 0 0 32 30 1 0 0 0 0 19 24 2 0 0 0 0 18 21 2 0 0 0 0 43 45 1 0 0 0 0 2 1 1 0 0 0 0 45 46 1 0 0 0 0 3 1 1 1 0 0 0 45 47 2 0 0 0 0 4 2 2 0 0 0 0 46 48 2 0 0 0 0 5 3 1 0 0 0 0 48 49 1 0 0 0 0 6 2 1 0 0 0 0 49 50 2 0 0 0 0 7 8 1 0 0 0 0 50 51 1 0 0 0 0 8 10 1 0 0 0 0 51 52 2 0 0 0 0 52 46 1 0 0 0 0 9 5 1 0 0 0 0 51 53 1 0 0 0 0 10 3 1 0 0 0 0 50 54 1 0 0 0 0 11 1 2 0 0 0 0 49 55 1 0 0 0 0 M END > CHEBI:68142 > epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate > A natural product found in Parapiptadenia rigida and Myrica rubra. > 2 > 3,4,5-Trihydroxy-benzoic acid (2R,3R,4R,2'R,3'R)-3,5,7,5',7'-pentahydroxy-2,2'-bis-(3,4,5-trihydroxy-phenyl)-3,4,3',4'-tetrahydro-2H,2'H-[4,8']bichromenyl-3'-yl ester > C37H30O18 > 762.62330 > 762.14321 > 0 > O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 > InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1 > JSBXKZFDEDBAQA-WUFIRYPCSA-N > 21553897 $$$$