Mrv1652306212102153D 32 33 0 0 0 0 999 V2000 -0.8994 -2.6140 1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -1.5738 0.7178 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9480 -0.2734 0.6886 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2511 0.8216 -0.1039 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0649 0.3696 -1.5239 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8837 -0.9466 -1.6022 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9179 -1.3448 -3.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3371 -0.6872 -1.1324 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1650 -1.9541 -1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3895 -1.9384 -1.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 -3.2363 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1461 -3.2706 -0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2344 -2.0698 -0.7184 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9490 -2.5513 -1.3582 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1222 -2.2204 2.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 -3.5295 1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -2.8815 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 -1.3602 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 0.0836 1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -0.4579 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 1.1288 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 1.7080 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6013 1.1758 -2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 0.2468 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -0.5668 -3.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0921 -1.4728 -3.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4603 -2.2788 -3.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8363 0.0012 -1.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 -0.2317 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 -4.1218 -0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6741 -4.2293 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5713 -1.8125 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 2 13 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 13 12 1 0 0 0 0 12 11 2 0 0 0 0 11 9 1 0 0 0 0 9 8 1 0 0 0 0 6 13 1 0 0 0 0 9 10 2 0 0 0 0 6 7 1 6 0 0 0 4 3 1 0 0 0 0 13 14 1 6 0 0 0 4 5 1 0 0 0 0 2 1 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 1 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 12 31 1 0 0 0 0 11 30 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 14 32 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 M END > NP0042649 > NP-MRD > [H]O[C@@]12C([H])=C([H])C(=O)C([H])([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[H] > InChI=1S/C12H18O2/c1-9-4-3-6-11(2)8-10(13)5-7-12(9,11)14/h5,7,9,14H,3-4,6,8H2,1-2H3/t9-,11+,12-/m1/s1 > RTYOTMKUFIVWRN-ADEWGFFLSA-N > C12H18O2 > 194.274 > 194.13067982 > 2 > 32 > 21.56339516944987 > 1 > 1 > 0 > 1 > (4aS,5R,8aS)-4a-hydroxy-5,8a-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one > 1.72 > 2.1470950156666673 > -2.31 > 0 > 2 > 0 > 19.470703828160037 > 13.757893020793443 > -3.342094683041606 > 37.3 > 56.158500000000004 > 0 > 1 > 9.53e-01 g/l > (4aS,5R,8aS)-4a-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one > 1 > NP0042649 > (4R,5S,10S)-5-hydroxy-11,12,13-trinoreudesm-6-en-8-one $$$$