Mrv1652306242119523D 40 42 0 0 0 0 999 V2000 3.1387 1.1475 1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 0.6916 1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 0.8473 1.0597 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5856 1.8840 0.1181 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 -0.4910 0.4910 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2507 -0.4020 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 -0.5671 -1.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6983 -0.8570 -2.2003 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5881 -0.7061 -1.0336 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2873 0.6581 -0.9429 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5971 0.6222 -1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5431 0.8906 0.5351 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9341 -0.2936 1.2618 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4743 -0.0224 2.5181 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 -0.8888 0.3142 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5915 -0.0900 -0.2037 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2734 -1.4015 0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 0.6969 -1.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 1.7169 2.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2222 1.0053 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4456 1.0888 2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 2.5710 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9589 -1.2592 1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3683 -0.4963 -2.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 -0.1978 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -1.8938 -2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4252 -1.4342 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6972 1.4749 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3904 1.2109 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 0.9998 -2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9499 -0.4324 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 1.8083 0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 1.0092 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8127 -0.9981 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 -0.7322 3.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -2.0089 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -1.5467 1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2855 -1.4727 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6849 -2.2686 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 0.1372 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 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 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 6 0 0 0 16 2 1 0 0 0 0 15 5 1 0 0 0 0 15 9 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 3 21 1 1 0 0 0 4 22 1 0 0 0 0 5 23 1 1 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 6 0 0 0 10 28 1 6 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 1 0 0 0 14 35 1 0 0 0 0 15 36 1 1 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 M END > NP0014018 > NP-MRD > [H]O[C@]1([H])C(=C([H])[H])[C@](O[H])(C2=C([H])C([H])([H])[C@]3([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])[C@]3([H])[C@]12[H])C([H])([H])[H] > InChI=1S/C15H22O3/c1-7-6-11(16)12-9(7)4-5-10-13(12)14(17)8(2)15(10,3)18/h5,7,9,11-14,16-18H,2,4,6H2,1,3H3/t7-,9+,11-,12+,13+,14+,15-/m0/s1 > PYQVJGJRCRIBAC-SGNKJEPPSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 27.816470719960627 > 1 > 3 > 0 > 1 > (1S,3R,5aR,6S,8S,8aS,8bS)-3,6-dimethyl-2-methylidene-1,2,3,5,5a,6,7,8,8a,8b-decahydroas-indacene-1,3,8-triol > 0.94 > 0.3420377276666664 > -1.55 > 0 > 3 > 0 > 14.338719228743546 > 13.637547402295407 > -2.839189160345759 > 60.69 > 70.15339999999999 > 0 > 1 > 7.13e+00 g/l > (1S,3R,5aR,6S,8S,8aS,8bS)-3,6-dimethyl-2-methylidene-1,5,5a,6,7,8,8a,8b-octahydroas-indacene-1,3,8-triol > 0 > NP0014018 > Stereumin F $$$$