Marvin 04251308342D 32 36 0 0 0 0 999 V2000 4.7975 -5.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7975 -5.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 -6.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 -4.7480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2198 -5.1647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2208 -5.9897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9330 -6.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 -4.7490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3670 -3.9236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6484 -3.5049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9273 -3.9185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0807 -4.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5064 -7.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 -3.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -4.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -6.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9261 -5.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2112 -3.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5367 -3.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2314 -4.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3604 -4.7517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6477 -5.1627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6458 -5.9836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3549 -6.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0718 -5.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 -5.1615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7860 -6.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6494 -2.6799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 -3.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 -6.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3535 -5.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7914 -4.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 8 1 0 0 0 0 5 15 1 1 0 0 0 6 7 1 0 0 0 0 6 16 1 6 0 0 0 7 23 1 0 0 0 0 8 17 1 6 0 0 0 8 22 1 0 0 0 0 11 18 1 1 0 0 0 2 3 2 0 0 0 0 9 19 1 1 0 0 0 3 6 1 0 0 0 0 22 20 1 1 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 8 11 1 0 0 0 0 21 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 1 12 2 0 0 0 0 10 28 1 6 0 0 0 1 2 1 0 0 0 0 9 29 1 0 0 0 0 3 13 1 0 0 0 0 23 30 1 1 0 0 0 1 4 1 0 0 0 0 21 31 1 1 0 0 0 4 14 1 1 0 0 0 26 32 1 1 0 0 0 M END > CHEBI:66164 > samaderine Z > A quassinoid isolated from Quassia indica and has been shown to exhibit antimalarial and antineoplastic activity. > 3 > (1beta,11beta,12alpha,15beta)-1,11,12,15-tetrahydroxy-13,20-epoxypicras-3-ene-2,16-dione > C20H26O8 > 394.41560 > 394.16277 > 0 > [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])[C@@H](O)C(=O)O2 > InChI=1S/C20H26O8/c1-7-4-9(21)15(24)18(2)8(7)5-10-20-6-27-19(3,16(25)11(22)13(18)20)14(20)12(23)17(26)28-10/h4,8,10-16,22-25H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15+,16-,18-,19-,20+/m0/s1 > KDVYRSSTPWSAJC-GGUABDNCSA-N > 8945767; 9644063 $$$$