Mrv1652304282211472D 24 25 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 0.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9679 -0.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 6 0 0 0 9 12 1 1 0 0 0 8 13 1 6 0 0 0 8 14 1 1 0 0 0 7 15 1 1 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 5 22 1 1 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 M END > NP0065586 > NP-MRD > C\C(=C\CO)\C=C\[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C > InChI=1S/C20H34O4/c1-13(9-12-21)7-8-14-19(4)11-6-10-18(2,3)16(19)15(22)17(23)20(14,5)24/h7-9,14-17,21-24H,6,10-12H2,1-5H3/b8-7+,13-9-/t14-,15-,16-,17+,19-,20+/m1/s1 > RMAJUEUHZWCNQM-IQCCWIEKSA-N > C20H34O4 > 338.488 > 338.245709575 > 4 > 58 > 38.84962930110368 > 1 > 4 > 0 > 1 > (1R,2S,3S,4R,4aS,8aR)-4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-3,4a,8,8-tetramethyl-decahydronaphthalene-1,2,3-triol > 2.32 > 1.7579738916666652 > -3.09 > 0 > 2 > 0 > 14.227196289987546 > 12.908864036498784 > -2.1707916529964235 > 80.92 > 97.72099999999999 > 3 > 1 > 2.75e-01 g/l > (1R,2S,3S,4R,4aS,8aR)-4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-3,4a,8,8-tetramethyl-hexahydro-1H-naphthalene-1,2,3-triol > 0 > NP0065586 > Sterebin F $$$$