Mrv1652309022211542D 18 18 0 0 1 0 999 V2000 0.8964 -1.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 -1.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 -1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3298 -0.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 0.4894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0744 1.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 1.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 1.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0945 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 0.8250 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 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > NP0153273 > NP-MRD > CC\C=C/C[C@H]1[C@@H](CCCC(=O)OC)CCC1=O > InChI=1S/C15H24O3/c1-3-4-5-8-13-12(10-11-14(13)16)7-6-9-15(17)18-2/h4-5,12-13H,3,6-11H2,1-2H3/b5-4-/t12-,13-/m0/s1 > NFKJKGVJZFWDKI-AIMRDXAKSA-N > C15H24O3 > 252.354 > 252.172544633 > 2 > 42 > 29.626439957467312 > 1 > 0 > 0 > 1 > methyl 4-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]butanoate > 3.58 > 3.449342263666666 > -3.90 > 0 > 1 > 0 > -6.877910125248225 > 43.370000000000005 > 72.52759999999998 > 8 > 1 > 3.17e-02 g/l > methyl 4-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]butanoate > 0 > NP0153273 > methyl 4-[(1s,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl]butanoate $$$$