Mrv1652309032207032D 14 15 0 0 1 0 999 V2000 2.4975 2.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7275 0.8862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5525 0.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5525 2.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 0.4737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1224 -0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 -0.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 -0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 1.2987 0.0000 C 0 0 2 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 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 9 13 1 0 0 0 0 14 13 1 6 0 0 0 2 14 1 0 0 0 0 9 14 1 0 0 0 0 M END > NP0169153 > NP-MRD > CC(C)[C@@]12C[C@@H]1C(=C)[C@H](C2)OC(C)=O > InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10-,11+,12+/m1/s1 > PBWRFXQNNGSAQG-WOPDTQHZSA-N > C12H18O2 > 194.274 > 194.13067982 > 1 > 32 > 22.149311752625373 > 1 > 0 > 0 > 1 > (1S,3S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-yl acetate > 2.94 > 2.06990946 > -2.99 > 0 > 2 > 0 > -7.013895311208607 > 26.3 > 54.31679999999999 > 3 > 1 > 1.98e-01 g/l > (1S,3S,5S)-1-isopropyl-4-methylidenebicyclo[3.1.0]hexan-3-yl acetate > 1 > NP0169153 > (1s,3s,5s)-1-isopropyl-4-methylidenebicyclo[3.1.0]hexan-3-yl acetate $$$$