Mrv1652304292203032D 25 25 0 0 0 0 999 V2000 -3.7433 1.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 1.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 2.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 -0.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7066 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4381 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1525 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8670 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1525 1.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6037 0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 -0.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 1.2519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9762 1.1657 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > NP0080004 > NP-MRD > CC(C)CCCCCCCCCCCC\C(O)=C1/C(=O)CN(C)C1=O > InChI=1S/C21H37NO3/c1-17(2)14-12-10-8-6-4-5-7-9-11-13-15-18(23)20-19(24)16-22(3)21(20)25/h17,23H,4-16H2,1-3H3/b20-18- > CPMHESKNPLZJEM-ZZEZOPTASA-N > C21H37NO3 > 351.531 > 351.277344055 > 3 > 62 > 44.57922214271466 > 0 > 1 > 0 > 1 > (3Z)-3-(1-hydroxy-14-methylpentadecylidene)-1-methylpyrrolidine-2,4-dione > 5.81 > 5.4178468209999995 > -5.38 > 0 > 1 > -1 > 12.84444509427934 > 5.273158935990117 > -1.3943846712635568 > 57.61 > 104.05469999999997 > 13 > 0 > 1.45e-03 g/l > (3Z)-3-(1-hydroxy-14-methylpentadecylidene)-1-methylpyrrolidine-2,4-dione > 0 > NP0080004 > Melophlin E $$$$