Mrv1533004231519462D 19 20 0 0 0 0 999 V2000 2.5645 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 -1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 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 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 6 13 2 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 18 19 1 0 0 0 0 3 19 1 0 0 0 0 14 19 2 0 0 0 0 M END > NP0051386 > NP-MRD > COC1=C(C)C(OCC=C(C)C)=CC2=C1CNC2=O > InChI=1S/C15H19NO3/c1-9(2)5-6-19-13-7-11-12(8-16-15(11)17)14(18-4)10(13)3/h5,7H,6,8H2,1-4H3,(H,16,17) > DSOITGJEUKHAJN-UHFFFAOYSA-N > C15H19NO3 > 261.321 > 261.136493476 > 3 > 38 > 28.921058258626182 > 1 > 1 > 0 > 1 > 4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydro-1H-isoindol-1-one > 2.11 > 2.358114425 > -3.32 > 0 > 2 > 0 > 16.152881797282543 > 13.782829845753653 > -1.3196053076563028 > 47.56 > 75.67349999999999 > 4 > 1 > 1.26e-01 g/l > 4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydroisoindol-1-one > 0 > NP0051386 > Zinnimidine $$$$