Mrv1652306242120043D 41 42 0 0 0 0 999 V2000 3.3199 -0.7442 1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 -0.0868 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 1.1889 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -0.6877 -0.2805 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1824 0.3172 -0.6521 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2593 -0.0550 -0.4758 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6635 -0.8202 -1.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5129 -0.9501 0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3864 -1.8574 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -1.9492 0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -3.0523 0.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7515 -0.8541 1.4312 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5818 -0.1131 2.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9283 -0.2574 0.7216 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6322 -1.3022 0.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5684 0.7180 -0.3585 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9126 0.2741 -1.6345 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 1.1551 -0.2624 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8236 2.2777 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0078 -0.3425 2.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8043 -1.6705 2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5005 1.6815 -0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 0.9930 0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7627 1.8994 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.9542 -1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 1.2518 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 0.6550 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 -1.4431 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -0.1543 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 -1.5494 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 -2.5494 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0209 -1.8896 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 -0.3793 3.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6292 0.1941 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4699 -0.9576 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1765 1.6381 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 1.0750 -2.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.4953 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 1.9547 -2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 2.8621 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 2.9883 -1.1600 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 10 4 1 0 0 0 0 18 6 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 6 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 9 31 1 0 0 0 0 12 32 1 1 0 0 0 13 33 1 0 0 0 0 14 34 1 1 0 0 0 15 35 1 0 0 0 0 16 36 1 1 0 0 0 17 37 1 0 0 0 0 18 38 1 1 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 M END > NP0014524 > NP-MRD > [H]O[C@]1([H])C2=C([H])C(=O)[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H] > InChI=1S/C15H22O4/c1-7(2)9-6-15(4)8(3)12(17)14(19)13(18)10(15)5-11(9)16/h5,8-9,12-14,17-19H,1,6H2,2-4H3/t8-,9-,12+,13+,14+,15+/m0/s1 > UUTDDCCHVKTGBI-DNGGIMRHSA-N > C15H22O4 > 266.337 > 266.151809188 > 4 > 41 > 28.900414807261146 > 1 > 3 > 0 > 1 > (3S,4aR,5R,6R,7R,8R)-6,7,8-trihydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one > 0.41 > 0.6531394436666678 > -1.40 > 0 > 2 > 0 > 14.127895975706256 > 12.931596585065346 > -3.3009356474820484 > 77.76 > 72.25789999999999 > 1 > 1 > 1.05e+01 g/l > (3S,4aR,5R,6R,7R,8R)-6,7,8-trihydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one > 0 > NP0014524 > Guignarderemophilane C $$$$