Mrv1533004191513562D 17 17 0 0 0 0 999 V2000 2.1434 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 2.2414 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -0.7752 0.0000 O 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 0.0000 -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 -0.7145 1.2375 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 -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 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 0.3272 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 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 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 8 15 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 M END > NP0260661 > NP-MRD > CC1C(C)(O)CCC(CCC=C(C)C)C1(C)O > InChI=1S/C15H28O2/c1-11(2)7-6-8-13-9-10-14(4,16)12(3)15(13,5)17/h7,12-13,16-17H,6,8-10H2,1-5H3 > FNTWVIBKYQRXAE-UHFFFAOYSA-N > C15H28O2 > 240.387 > 240.208930142 > 2 > 45 > 29.683553375793622 > 1 > 2 > 0 > 1 > 1,2,3-trimethyl-4-(4-methylpent-3-en-1-yl)cyclohexane-1,3-diol > 3.50 > 2.886344927333332 > -2.93 > 0 > 1 > 0 > 15.007829927844327 > 14.278117201404989 > -2.9262105193536465 > 40.46 > 72.8684 > 3 > 1 > 2.80e-01 g/l > 1,2,3-trimethyl-4-(4-methylpent-3-en-1-yl)cyclohexane-1,3-diol > 0 > NP0260661 > 1,2,3-trimethyl-4-(4-methylpent-3-en-1-yl)cyclohexane-1,3-diol $$$$