Mrv1533004161507522D 15 15 0 0 0 0 999 V2000 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 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 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 9 15 1 0 0 0 0 M END > NP0313254 > NP-MRD > CC(=O)OCC(C)(O)C1CCC(=C)C=C1 > InChI=1S/C12H18O3/c1-9-4-6-11(7-5-9)12(3,14)8-15-10(2)13/h4,6,11,14H,1,5,7-8H2,2-3H3 > VVSMKHXGNJJTIF-UHFFFAOYSA-N > C12H18O3 > 210.273 > 210.12559444 > 2 > 33 > 23.340050375920967 > 1 > 1 > 0 > 1 > 2-hydroxy-2-(4-methylidenecyclohex-2-en-1-yl)propyl acetate > 1.81 > 1.2645249649999992 > -2.20 > 0 > 1 > 0 > 13.939282519137073 > -3.2627578261294445 > 46.53 > 59.2012 > 4 > 1 > 1.32e+00 g/l > 2-hydroxy-2-(4-methylidenecyclohex-2-en-1-yl)propyl acetate > 0 > NP0313254 > 2-hydroxy-2-(4-methylidenecyclohex-2-en-1-yl)propyl acetate $$$$