CDK 9/10/12,15:50 44 49 0 0 0 0 0 0 0 0999 V2000 -1.2291 -13.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -13.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2291 -11.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 -14.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 -11.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -13.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -10.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 -10.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 -11.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 -10.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9531 -13.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 -13.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -13.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6561 -11.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -14.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1768 -14.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 -12.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9573 -14.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 -10.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0307 -13.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3235 -12.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 -14.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3235 -13.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6121 -12.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6561 -10.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3674 -11.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -9.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -9.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3716 -10.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6374 -9.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -10.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -10.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -11.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8455 -13.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6518 -12.5815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -15.7764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 -12.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3235 -11.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7505 -13.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6037 -14.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -8.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0872 -10.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3488 -9.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4745 -12.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 1 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 10 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 1 2 0 0 0 0 12 6 1 0 0 0 0 12 13 1 6 0 0 0 14 5 2 0 0 0 0 15 4 1 0 0 0 0 16 4 1 0 0 0 0 17 21 1 0 0 0 0 18 11 1 0 0 0 0 10 19 1 6 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 12 1 0 0 0 0 23 13 2 0 0 0 0 24 13 1 0 0 0 0 25 8 2 0 0 0 0 26 14 1 0 0 0 0 27 19 1 0 0 0 0 28 27 2 0 0 0 0 29 26 2 0 0 0 0 30 28 1 0 0 0 0 31 19 2 0 0 0 0 32 31 1 0 0 0 0 9 33 1 6 0 0 0 34 11 1 0 0 0 0 35 14 1 0 0 0 0 36 15 1 0 0 0 0 37 17 1 0 0 0 0 38 21 1 0 0 0 0 39 20 1 0 0 0 0 22 40 1 1 0 0 0 41 28 1 0 0 0 0 42 29 1 0 0 0 0 43 30 1 0 0 0 0 44 37 1 0 0 0 0 15 18 2 0 0 0 0 7 8 1 0 0 0 0 22 16 1 0 0 0 0 29 25 1 0 0 0 0 17 20 2 0 0 0 0 30 32 2 0 0 0 0 M END > CHEBI:68144 > epicatechin-(4beta->8)-4'-O-methylgallocatechin > A natural product found in Parapiptadenia rigida. > 2 > (2R,2'R,3R,3'S,4R)-2'-(3,5-Dihydroxy-4-methoxyphenyl)-2-(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol > C31H28O13 > 608.54620 > 608.15299 > 0 > COc1c(O)cc(cc1O)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(O)c2[C@@H]1[C@@H](O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 > InChI=1S/C31H28O13/c1-42-31-20(38)5-12(6-21(31)39)28-22(40)9-14-16(34)10-19(37)25(30(14)44-28)26-24-18(36)7-13(32)8-23(24)43-29(27(26)41)11-2-3-15(33)17(35)4-11/h2-8,10,22,26-29,32-41H,9H2,1H3/t22-,26+,27+,28+,29+/m0/s1 > ADKHKBZKHGJXDZ-UKWJTHFESA-N > 21553897 $$$$