Mrv1533004181502012D 27 29 0 0 0 0 999 V2000 0.6078 6.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 5.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3222 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 4.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 3.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 1.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4186 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2032 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8538 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4413 -0.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7738 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0367 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5995 2.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 3.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8249 2.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4368 3.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 2.0132 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 4 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 14 15 2 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 16 20 1 0 0 0 0 9 21 1 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M END > NP0290098 > NP-MRD > COC(=O)C1CCCC(=C2CC(OC2=O)C2=COC=C2)C1(C)CCC(C)O > InChI=1S/C21H28O6/c1-13(22)7-9-21(2)16(5-4-6-17(21)20(24)25-3)15-11-18(27-19(15)23)14-8-10-26-12-14/h8,10,12-13,17-18,22H,4-7,9,11H2,1-3H3 > AXDVKAQGXXYSTO-UHFFFAOYSA-N > C21H28O6 > 376.449 > 376.188588622 > 3 > 55 > 40.36222280221757 > 1 > 1 > 0 > 1 > methyl 3-[5-(furan-3-yl)-2-oxooxolan-3-ylidene]-2-(3-hydroxybutyl)-2-methylcyclohexane-1-carboxylate > 3.11 > 3.083392878333333 > -3.70 > 1 > 3 > 0 > 17.637192292509845 > -1.6211771953191447 > 85.97000000000001 > 99.02070000000002 > 6 > 1 > 7.56e-02 g/l > methyl 3-[5-(furan-3-yl)-2-oxooxolan-3-ylidene]-2-(3-hydroxybutyl)-2-methylcyclohexane-1-carboxylate > 0 > NP0290098 > methyl 3-[5-(furan-3-yl)-2-oxooxolan-3-ylidene]-2-(3-hydroxybutyl)-2-methylcyclohexane-1-carboxylate $$$$