Mrv1533004261500122D 13 14 0 0 0 0 999 V2000 1.4289 -2.4750 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 0.7145 -1.2375 0.0000 C 0 0 0 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 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 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 2.1434 -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 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 M END > NP0165823 > NP-MRD > CC1CCCC2=CC(=O)C=CC12C > InChI=1S/C12H16O/c1-9-4-3-5-10-8-11(13)6-7-12(9,10)2/h6-9H,3-5H2,1-2H3 > GCQBBQFHAVKHMN-UHFFFAOYSA-N > C12H16O > 176.259 > 176.120115135 > 1 > 29 > 20.09309956862883 > 1 > 0 > 0 > 1 > 4a,5-dimethyl-2,4a,5,6,7,8-hexahydronaphthalen-2-one > 2.35 > 3.0266992556666663 > -3.08 > 0 > 2 > 0 > 19.103708825046166 > -4.992001417968405 > 17.07 > 55.6881 > 0 > 1 > 1.48e-01 g/l > 4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one > 1 > NP0165823 > 4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one $$$$