Mrv1533004241512582D 24 26 0 0 0 0 999 V2000 -2.1434 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7859 -0.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7859 -2.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 -3.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 -3.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7511 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9441 -2.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 4 0 0 0 3 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 9 8 1 4 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 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 14 18 1 0 0 0 0 18 19 2 0 0 0 0 11 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 1 0 0 0 0 M END > NP0327487 > NP-MRD > O=C(C=CCCCCC=CC1=CC=C2OCOC2=C1)N1CCCC1 > InChI=1S/C20H25NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5-6,9-12,15H,1-4,7-8,13-14,16H2 > BYKNKNBUHGFXQF-UHFFFAOYSA-N > C20H25NO3 > 327.424 > 327.183443669 > 3 > 49 > 38.35811561892598 > 1 > 0 > 0 > 1 > 9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,8-dien-1-one > 4.49 > 4.111017045333334 > -4.86 > 1 > 3 > 0 > -0.1999308676962871 > 38.77 > 96.70599999999999 > 7 > 1 > 4.55e-03 g/l > 9-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,8-dien-1-one > 1 > NP0327487 > 9-(2h-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)nona-2,8-dien-1-one $$$$