Mrv1652309102209002D 15 15 0 0 1 0 999 V2000 -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 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 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 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 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 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 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 6 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 2 15 1 0 0 0 0 M END > NP0297037 > NP-MRD > C[C@H](O)CCC1=C(C)CC[C@@H](O)C1(C)C > InChI=1S/C13H24O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h10,12,14-15H,5-8H2,1-4H3/t10-,12+/m0/s1 > PCHNRWMSYBNCRR-CMPLNLGQSA-N > C13H24O2 > 212.333 > 212.177630013 > 2 > 39 > 25.44777678984079 > 1 > 2 > 0 > 1 > (1R)-3-[(3S)-3-hydroxybutyl]-2,2,4-trimethylcyclohex-3-en-1-ol > 2.0175017639999995 > 0 > 1 > 0 > 19.398189913224904 > 17.7162113032941 > -0.8017600647350863 > 40.46 > 63.375299999999996 > 3 > 1 > (1R)-3-[(3S)-3-hydroxybutyl]-2,2,4-trimethylcyclohex-3-en-1-ol > 0 > NP0297037 > (1r)-3-[(3s)-3-hydroxybutyl]-2,2,4-trimethylcyclohex-3-en-1-ol $$$$