Mrv1533004251509132D 14 15 0 0 0 0 999 V2000 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 1.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 1.1270 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 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 2 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END > NP0279986 > NP-MRD > CC1CCCC2CC(=CC12C)C(C)=O > InChI=1S/C13H20O/c1-9-5-4-6-12-7-11(10(2)14)8-13(9,12)3/h8-9,12H,4-7H2,1-3H3 > WKNLFMXMEHMEGH-UHFFFAOYSA-N > C13H20O > 192.302 > 192.151415264 > 1 > 34 > 23.213005370315237 > 1 > 0 > 0 > 1 > 1-(3a,4-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-2-yl)ethan-1-one > 3.84 > 3.212116898 > -3.65 > 0 > 2 > 0 > 19.67925113664575 > -4.910128144630243 > 17.07 > 59.1926 > 1 > 1 > 4.35e-02 g/l > 1-(3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl)ethanone > 1 > NP0279986 > 1-(3a,4-dimethyl-1,4,5,6,7,7a-hexahydroinden-2-yl)ethanone $$$$