Mrv1652304282205392D 17 17 0 0 1 0 999 V2000 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 1 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 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 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 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9263 1.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 2.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 3.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 4.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 4.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5649 5.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 4.8509 0.0000 C 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 3 9 1 6 0 0 0 3 10 1 1 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 M END > NP0058301 > NP-MRD > C[C@H](CCC=C(C)C)[C@]1(O)CCC(C)=CC1=O > InChI=1S/C15H24O2/c1-11(2)6-5-7-13(4)15(17)9-8-12(3)10-14(15)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15-/m1/s1 > QCLWFRYXYGDIEZ-UKRRQHHQSA-N > C15H24O2 > 236.355 > 236.177630013 > 2 > 41 > 28.423484244176922 > 1 > 1 > 0 > 1 > (6R)-6-hydroxy-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one > 3.22 > 3.838288487666667 > -3.08 > 0 > 1 > 0 > 17.903488937886944 > 12.845017733752226 > -3.7413781965561883 > 37.3 > 72.62639999999999 > 4 > 1 > 1.95e-01 g/l > (6R)-6-hydroxy-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one > 1 > NP0058301 > 6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one $$$$