Mrv1652309032213222D 19 19 0 0 1 0 999 V2000 2.4881 -4.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -3.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0465 -3.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 -2.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 -1.1225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1849 -1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 -2.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 -0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 0.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7926 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2215 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0794 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 -1.1270 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 1 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 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M END > NP0174148 > NP-MRD > CCCCC[C@H]1[C@@H](CCCCCC(O)=O)CCC1=O > InChI=1S/C16H28O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h13-14H,2-12H2,1H3,(H,18,19)/t13-,14-/m0/s1 > MTWJEFNRVOYKJI-KBPBESRZSA-N > C16H28O3 > 268.397 > 268.203844762 > 3 > 47 > 32.23235527656487 > 1 > 1 > 0 > 1 > 6-[(1S,2S)-3-oxo-2-pentylcyclopentyl]hexanoic acid > 4.63 > 4.554507194333333 > -4.30 > 0 > 1 > -1 > 4.599829434815465 > -7.41641918705368 > 54.370000000000005 > 75.84389999999998 > 10 > 1 > 1.35e-02 g/l > 6-[(1S,2S)-3-oxo-2-pentylcyclopentyl]hexanoic acid > 0 > NP0174148 > 6-[(1s,2s)-3-oxo-2-pentylcyclopentyl]hexanoic acid $$$$