Mrv1652304292203032D 23 23 0 0 1 0 999 V2000 -5.1252 2.8638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3182 2.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 3.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 0.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0549 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4838 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6272 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6272 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9856 1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1572 0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5377 2.1493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3582 2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4607 3.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 4 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 1 0 0 0 M END > NP0080013 > NP-MRD > CC(C)CCCCCCCCC\C(O)=C1/C(=O)[C@H](C)N(C)C1=O > InChI=1S/C19H33NO3/c1-14(2)12-10-8-6-5-7-9-11-13-16(21)17-18(22)15(3)20(4)19(17)23/h14-15,21H,5-13H2,1-4H3/b17-16-/t15-/m0/s1 > IVJNBOONAUPJCT-DZHJMQLISA-N > C19H33NO3 > 323.477 > 323.246043927 > 3 > 56 > 40.03312134992142 > 1 > 1 > 0 > 1 > (3Z,5S)-3-(1-hydroxy-11-methyldodecylidene)-1,5-dimethylpyrrolidine-2,4-dione > 4.60 > 4.652905068333334 > -4.53 > 0 > 1 > -1 > 13.22523927397242 > 5.293259188678705 > -1.2184076847198075 > 57.61 > 94.7456 > 10 > 1 > 9.53e-03 g/l > (3Z,5S)-3-(1-hydroxy-11-methyldodecylidene)-1,5-dimethylpyrrolidine-2,4-dione > 0 > NP0080013 > Melophlin N $$$$