Mrv1533004241500432D 15 16 0 0 0 0 999 V2000 2.4183 3.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 2.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 1.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4183 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7683 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3594 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 0.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 -0.1622 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 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > NP0329234 > NP-MRD > CC(=O)OC1C=C(C)C2C(=O)C1C2(C)C > InChI=1S/C12H16O3/c1-6-5-8(15-7(2)13)10-11(14)9(6)12(10,3)4/h5,8-10H,1-4H3 > KGXJGLWCNAGVOS-UHFFFAOYSA-N > C12H16O3 > 208.257 > 208.109944375 > 2 > 31 > 22.358234954427022 > 1 > 0 > 0 > 1 > 4,6,6-trimethyl-7-oxobicyclo[3.1.1]hept-3-en-2-yl acetate > 1.94 > 1.500599888333333 > -1.94 > 0 > 2 > 0 > 16.336338629586916 > -6.921180193931422 > 43.370000000000005 > 55.9285 > 2 > 1 > 2.39e+00 g/l > 4,6,6-trimethyl-7-oxobicyclo[3.1.1]hept-3-en-2-yl acetate > 0 > NP0329234 > 4,6,6-trimethyl-7-oxobicyclo[3.1.1]hept-3-en-2-yl acetate $$$$