Mrv1652309042204502D 18 18 0 0 1 0 999 V2000 -1.2757 -0.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8379 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2245 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 0.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4952 0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5248 1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 1.7798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8574 2.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8266 2.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5537 0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5241 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0155 -0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4762 -1.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 -2.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 -0.6053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0613 -1.2550 0.0000 O 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 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 6 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 4 17 1 0 0 0 0 17 18 1 1 0 0 0 M END > NP0186860 > NP-MRD > CC(C)[C@@H]1\C=C\[C@](C)(O)CC\C=C(/C[C@H]1O)C=O > InChI=1S/C15H24O3/c1-11(2)13-6-8-15(3,18)7-4-5-12(10-16)9-14(13)17/h5-6,8,10-11,13-14,17-18H,4,7,9H2,1-3H3/b8-6+,12-5+/t13-,14+,15+/m0/s1 > MRJPLQZXCJJMNP-CPQUPJPTSA-N > C15H24O3 > 252.354 > 252.172544633 > 3 > 42 > 28.402036310060907 > 1 > 2 > 0 > 1 > (1E,5R,6E,8R,9R)-5,9-dihydroxy-5-methyl-8-(propan-2-yl)cyclodeca-1,6-diene-1-carbaldehyde > 1.7578886169999994 > 0 > 1 > 0 > 18.58691515732251 > 14.802695767545835 > -1.2296589073937931 > 57.53 > 74.7614 > 2 > 1 > (1E,5R,6E,8R,9R)-5,9-dihydroxy-8-isopropyl-5-methylcyclodeca-1,6-diene-1-carbaldehyde > 0 > NP0186860 > (1e,5r,6e,8r,9r)-5,9-dihydroxy-8-isopropyl-5-methylcyclodeca-1,6-diene-1-carbaldehyde $$$$