FEF Mrv0541 02241213382D 28 31 0 0 0 0 999 V2000 25.0724 35.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0724 34.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7399 33.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4849 32.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8974 32.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4849 31.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6599 31.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2474 32.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6599 32.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4050 33.7682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5245 34.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1919 33.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8594 34.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6664 33.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2184 34.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9635 35.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1565 35.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6044 34.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7794 34.8078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1919 32.7132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.9064 32.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6209 32.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3354 32.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0498 32.7132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0498 33.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7643 32.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4788 32.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5441 33.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 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 24 25 1 1 0 0 0 24 26 1 0 0 0 0 24 28 1 6 0 0 0 26 27 1 0 0 0 0 M END > DB07766 > drugbank > [H][C@](O)(CO)CCO\N=C1\C(\NC2=CC=CC=C\12)=C1\C(=O)NC2=C1C=CC=C2 > InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,24-25H,9-11H2,(H,22,26)/b19-17-,23-18+/t12-/m1/s1 > InChIKey=RKUMZEVCWKZXFV-YOCZKUTFSA-N > 6 > 39.330549232808174 > 1 > 4 > 365.137556111 > 0 > C20H19N3O4 > 1 > 3-[(3E)-3-{[(3R)-3,4-dihydroxybutoxy]imino}-2,3-dihydro-1H-indol-2-ylidene]-2,3-dihydro-1H-indol-2-one > 1.70 > 0.9118302886666667 > -3.40 > 365.3826 > 0 > 4 > 0 > 14.162872483099186 > 10.689477872129764 > 6.845853815169008 > 103.18 > 104.4196 > 5 > 1 > 1.44e-01 g/l > 3-[(3E)-3-{[(3R)-3,4-dihydroxybutoxy]imino}-1H-indol-2-ylidene]-1H-indol-2-one > 0 > DB07766 > experimental > (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME} $$$$