Marvin 01171309192D 42 48 0 0 0 0 999 V2000 -4.6828 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6828 -2.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9728 -2.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9728 -1.0471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2628 -1.4626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2617 -2.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5526 -2.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -1.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 -1.4607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8362 -2.2855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1236 -2.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -1.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -1.4524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4068 -2.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3119 -2.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 -2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 -1.0276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0164 -1.4399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0059 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 -0.1905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7310 -1.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5200 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 0.0676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9728 -0.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -1.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 -0.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 -0.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -1.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 1.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 2.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 1.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 2.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8491 -0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8407 -3.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2659 -3.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 9 12 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 21 1 0 0 0 0 10 11 1 0 0 0 0 4 26 1 6 0 0 0 11 14 2 0 0 0 0 17 27 1 6 0 0 0 13 12 1 0 0 0 0 26 28 1 0 0 0 0 13 14 1 0 0 0 0 5 29 1 1 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 18 30 1 1 0 0 0 5 8 1 0 0 0 0 22 31 1 1 0 0 0 13 17 1 0 0 0 0 25 32 1 1 0 0 0 32 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 32 2 0 0 0 0 6 7 1 0 0 0 0 35 37 2 0 0 0 0 10 7 1 0 0 0 0 9 38 1 1 0 0 0 9 8 1 0 0 0 0 10 39 1 6 0 0 0 9 10 1 0 0 0 0 6 40 1 1 0 0 0 13 41 1 1 0 0 0 21 42 1 1 0 0 0 M END > CHEBI:65825 > elaeodendroside B > A steroid lactone isolated from Elaeodendron tangenala and Elaeodendron glaucum and exhibits antiproliferative activity against A2780 human ovarian cancer cells. > 3 > 4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]furan-2(5H)-one > C29H40O8 > 516.62310 > 516.27232 > 0 > [H][C@@]12C[C@@]3(C)C(CC[C@]4([H])[C@]3([H])CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)=C[C@@]1([H])O[C@]1([H])OCC[C@H](OC)[C@]1(O)O2 > InChI=1S/C29H40O8/c1-26-14-22-21(36-25-29(32,37-22)23(33-3)8-11-34-25)13-17(26)4-5-20-19(26)6-9-27(2)18(7-10-28(20,27)31)16-12-24(30)35-15-16/h12-13,18-23,25,31-32H,4-11,14-15H2,1-3H3/t18-,19+,20-,21-,22-,23+,25+,26+,27-,28+,29+/m1/s1 > GKRZHFATSIESKX-VXCHEOLLSA-N > 3599480 > 17547460 $$$$