Mrv1652304282208322D 13 14 0 0 1 0 999 V2000 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 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 3 4 1 0 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 5 12 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 6 0 0 0 M END > NP0061833 > NP-MRD > CC1=CC(=O)C=C2CCCC[C@]12C > InChI=1S/C12H16O/c1-9-7-11(13)8-10-5-3-4-6-12(9,10)2/h7-8H,3-6H2,1-2H3/t12-/m1/s1 > TXJKMYPSRQWMOL-GFCCVEGCSA-N > C12H16O > 176.259 > 176.120115135 > 1 > 29 > 20.38510972368062 > 1 > 0 > 0 > 1 > (4aR)-4,4a-dimethyl-2,4a,5,6,7,8-hexahydronaphthalen-2-one > 3.01 > 2.9830414309999997 > -2.71 > 0 > 2 > 0 > 19.13325725891228 > -4.810273509716975 > 17.07 > 55.421499999999995 > 0 > 1 > 3.43e-01 g/l > (4aR)-4,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one > 1 > NP0061833 > 11,12,13-Trinor-6,9-eremophiladien-8-one $$$$