Mrv1533004171508552D 24 25 0 0 0 0 999 V2000 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 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 -2.0625 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 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 0.7145 -1.2375 0.0000 C 0 0 0 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 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 -3.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 -3.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -3.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 -3.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 -3.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0154 -4.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 -4.5244 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 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 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 7 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 20 24 1 0 0 0 0 M END > NP0329718 > NP-MRD > COC(=O)CCC1C(CCC(C)C1(C)CCC1=COC=C1)=C(C)C > InChI=1S/C21H32O3/c1-15(2)18-7-6-16(3)21(4,12-10-17-11-13-24-14-17)19(18)8-9-20(22)23-5/h11,13-14,16,19H,6-10,12H2,1-5H3 > NUSPBUAVDKDEAT-UHFFFAOYSA-N > C21H32O3 > 332.484 > 332.23514489 > 1 > 56 > 39.1697008147846 > 1 > 0 > 0 > 1 > methyl 3-{2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl}propanoate > 5.58 > 5.275862394666667 > -4.52 > 0 > 2 > 0 > -2.784132265429506 > 39.44 > 97.4554 > 7 > 0 > 9.97e-03 g/l > methyl 3-{2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl}propanoate > 1 > NP0329718 > methyl 3-{2-[2-(furan-3-yl)ethyl]-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl}propanoate $$$$