Mrv1533004261501382D 20 21 0 0 0 0 999 V2000 1.2155 1.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5795 0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 -0.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0878 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 -0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -0.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -1.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -1.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1636 -2.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0262 -3.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 -2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 -2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2561 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 -0.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 -1.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 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 2 0 0 0 0 8 9 1 4 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 11 1 4 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 5 16 1 0 0 0 0 16 17 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 7 20 1 0 0 0 0 M END > NP0186264 > NP-MRD > CC(=O)OC1CC(C)=CCCC(=O)C=CC2C1C2(C)C > InChI=1S/C17H24O3/c1-11-6-5-7-13(19)8-9-14-16(17(14,3)4)15(10-11)20-12(2)18/h6,8-9,14-16H,5,7,10H2,1-4H3 > BESWSXOVDJDSKQ-UHFFFAOYSA-N > C17H24O3 > 276.376 > 276.172544633 > 2 > 44 > 30.724013953251035 > 1 > 0 > 0 > 1 > 4,12,12-trimethyl-8-oxobicyclo[9.1.0]dodeca-4,9-dien-2-yl acetate > 3.31 > 2.9754711489999996 > -3.76 > 0 > 2 > 0 > 19.162039791134728 > -4.849709970284688 > 43.370000000000005 > 80.206 > 2 > 1 > 4.77e-02 g/l > 4,12,12-trimethyl-8-oxobicyclo[9.1.0]dodeca-4,9-dien-2-yl acetate > 0 > NP0186264 > 4,12,12-trimethyl-8-oxobicyclo[9.1.0]dodeca-4,9-dien-2-yl acetate $$$$