Mrv1652306242117483D 35 37 0 0 0 0 999 V2000 -2.5139 0.8629 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5207 -0.3561 0.4253 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9636 -0.7212 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 -0.2770 -0.8607 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9224 -1.6088 -1.4636 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 -2.3102 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 -3.5345 -1.5319 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -1.4402 -0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 -0.2100 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.7986 -0.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.1599 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8833 0.5788 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7376 1.5939 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 1.3831 0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 0.1468 0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -0.8872 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4761 -0.6614 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -1.6930 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 -2.8345 -0.6533 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6214 1.0088 1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7456 1.7512 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 0.8396 2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 -1.2581 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -0.0665 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5295 -0.5263 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0046 -1.8023 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0556 0.5322 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -1.9285 -1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 2.3398 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 2.7901 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 2.4304 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3796 2.5805 0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 2.1986 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6838 -0.0035 0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -1.8759 0.0145 H 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 9 4 1 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 1 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 6 0 0 0 5 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 M END > NP0003605 > NP-MRD > [H]N1C(=O)C2=C(N(C3=C([H])C([H])=C([H])C([H])=C3C2=O)C([H])([H])[H])[C@]1([H])C([H])(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H16N2O2/c1-8(2)12-13-11(15(19)16-12)14(18)9-6-4-5-7-10(9)17(13)3/h4-8,12H,1-3H3,(H,16,19)/t12-/m0/s1 > YCGFIOZHNUQYSK-UHFFFAOYSA-N > C15H16N2O2 > 256.305 > 256.121177763 > 3 > 35 > 27.610051267590705 > 1 > 1 > 0 > 1 > (3S)-4-methyl-3-(propan-2-yl)-1H,2H,3H,4H,9H-pyrrolo[3,4-b]quinoline-1,9-dione > 1.88 > 1.7676489486666673 > -2.08 > 0 > 3 > 0 > 15.720919207127366 > 11.865384563318305 > -1.0599922721006658 > 49.410000000000004 > 74.5626 > 1 > 1 > 2.15e+00 g/l > (3S)-3-isopropyl-4-methyl-2H,3H-pyrrolo[3,4-b]quinoline-1,9-dione > 0 > NP0003605 > Quinolactacin B $$$$