Mrv1652309052208092D 23 23 0 0 0 0 999 V2000 -4.5138 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7993 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7993 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0848 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3704 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6559 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -0.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7895 0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 2.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 0.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8256 -0.9921 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 2 4 2 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 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 4 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 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 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 18 21 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M END > NP0208942 > NP-MRD > CC(C)=CCCC(C)=CCCC(C=O)C1CCC(C=O)C1C=O > InChI=1S/C20H30O3/c1-15(2)6-4-7-16(3)8-5-9-17(12-21)19-11-10-18(13-22)20(19)14-23/h6,8,12-14,17-20H,4-5,7,9-11H2,1-3H3 > HSCUXCZWEKXESM-UHFFFAOYSA-N > C20H30O3 > 318.457 > 318.219494826 > 3 > 53 > 37.723227678400264 > 1 > 0 > 0 > 1 > 3-(6,10-dimethyl-1-oxoundeca-5,9-dien-2-yl)cyclopentane-1,2-dicarbaldehyde > 3.466244419333334 > 0 > 1 > 0 > 18.317343457239417 > 15.350155438655449 > -6.558603794562015 > 51.21 > 95.70329999999998 > 10 > 1 > 3-(6,10-dimethyl-1-oxoundeca-5,9-dien-2-yl)cyclopentane-1,2-dicarbaldehyde > 0 > NP0208942 > 3-(6,10-dimethyl-1-oxoundeca-5,9-dien-2-yl)cyclopentane-1,2-dicarbaldehyde $$$$