Mrv1652306212101023D 34 35 0 0 0 0 999 V2000 1.6447 0.8845 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 -0.1458 -1.2446 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5122 -1.5848 -0.7320 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3039 -2.0661 0.0631 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9714 -1.9464 -0.7683 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2437 -0.5155 -1.2988 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7380 0.3841 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3863 -0.6253 -2.3522 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5581 0.6611 -3.1599 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6069 0.4839 -4.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2555 1.0146 -3.9021 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1553 0.2349 -5.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0194 0.7427 -3.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0203 0.0826 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4776 1.9045 -0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 0.8166 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 0.7353 0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 -0.0077 -1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.6779 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 -2.2538 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 -1.5049 0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4524 -3.1152 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 -2.2955 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.6438 -1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 0.3406 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 0.0740 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 1.4354 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 -0.8888 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -1.4514 -3.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 1.4889 -2.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4137 0.2535 -3.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2877 2.0654 -4.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 0.1252 -5.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 1.1121 -3.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 6 8 1 0 0 0 0 14 13 2 0 0 0 0 13 11 1 0 0 0 0 8 9 1 0 0 0 0 3 2 1 0 0 0 0 2 14 1 0 0 0 0 6 7 1 1 0 0 0 9 11 1 0 0 0 0 6 5 1 0 0 0 0 6 14 1 0 0 0 0 2 1 1 0 0 0 0 4 3 1 0 0 0 0 9 10 1 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 2 18 1 6 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 13 34 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 9 30 1 1 0 0 0 11 32 1 6 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 10 31 1 0 0 0 0 12 33 1 0 0 0 0 M END > NP0041005 > NP-MRD > [H]O[C@]1([H])C([H])=C2[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C([H])([H])[C@]1([H])O[H] > InChI=1S/C12H20O2/c1-8-4-3-5-12(2)7-11(14)10(13)6-9(8)12/h6,8,10-11,13-14H,3-5,7H2,1-2H3/t8-,10+,11-,12+/m0/s1 > FHKKSWFQYLBOHZ-ZDDJMSTPSA-N > C12H20O2 > 196.29 > 196.146329884 > 2 > 34 > 22.518421785054173 > 1 > 2 > 0 > 1 > (2S,3R,5S,8aR)-5,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2,3-diol > 1.85 > 1.5426336709999995 > -1.57 > 0 > 2 > 0 > 15.13837887579604 > 13.648192191467484 > -3.1824344375717173 > 40.46 > 56.853699999999996 > 0 > 1 > 5.30e+00 g/l > (2R,3S,4aR,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalene-2,3-diol > 0 > NP0041005 > trinoralantolactone $$$$