Mrv1652309032219232D 13 14 0 0 1 0 999 V2000 -1.4087 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 1 0 0 0 4 12 1 0 0 0 0 12 13 2 0 0 0 0 M END > NP0179239 > NP-MRD > C=CCC1=C[C@H]2CCCC[C@H]2C1=O > InChI=1S/C12H16O/c1-2-5-10-8-9-6-3-4-7-11(9)12(10)13/h2,8-9,11H,1,3-7H2/t9-,11-/m1/s1 > FFTVOIIIELKIMJ-MWLCHTKSSA-N > C12H16O > 176.259 > 176.120115135 > 1 > 29 > 20.570888293741227 > 1 > 0 > 0 > 1 > (3aR,7aR)-2-(prop-2-en-1-yl)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-one > 3.2775657243333334 > 0 > 2 > 0 > -5.171708251431327 > 17.07 > 54.8658 > 2 > 1 > (3aR,7aR)-2-(prop-2-en-1-yl)-3a,4,5,6,7,7a-hexahydroinden-1-one > 1 > NP0179239 > (3ar,7ar)-2-(prop-2-en-1-yl)-3a,4,5,6,7,7a-hexahydroinden-1-one $$$$