Mrv1652309022221442D 23 25 0 0 1 0 999 V2000 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4452 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -1.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9520 1.1270 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 14 12 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 1 0 0 0 17 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 6 22 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 1 0 0 0 M END > NP0161535 > NP-MRD > CC(C)C1=CC2=C(C[C@@H](O)[C@H]3[C@@](C)(CO)CCC[C@]23C)C=C1O > InChI=1S/C20H30O3/c1-12(2)14-10-15-13(8-16(14)22)9-17(23)18-19(3,11-21)6-5-7-20(15,18)4/h8,10,12,17-18,21-23H,5-7,9,11H2,1-4H3/t17-,18+,19-,20-/m1/s1 > WGRNQBCIHDDIMK-IYWMVGAKSA-N > C20H30O3 > 318.457 > 318.219494826 > 3 > 53 > 37.22424500828664 > 1 > 3 > 0 > 1 > (4bS,8S,8aR,9R)-8-(hydroxymethyl)-4b,8-dimethyl-3-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2,9-diol > 3.63 > 3.663970853666666 > -3.57 > 0 > 3 > 0 > 14.631569075448233 > 10.697727990332705 > -2.753240264706461 > 60.69 > 93.0749 > 2 > 1 > 8.57e-02 g/l > trogopteroid F > 0 > NP0161535 > trogopteroid f $$$$