15627868 -OEChem-10051720583D 33 35 0 0 0 0 0 0 0999 V2000 1.6759 0.9749 0.4428 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0883 -0.6990 -0.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 0.6502 -1.5937 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.6369 0.2868 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 -0.2738 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 -1.3055 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 0.9860 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 -0.7039 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4788 0.7539 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9136 -0.3549 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 -2.6851 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6238 2.1750 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 -1.4307 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6464 0.8372 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4604 -3.4422 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0079 2.0882 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 -2.8212 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 1.9546 0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0368 1.2642 0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 0.3952 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 -1.3100 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -3.1804 -0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 3.1364 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9091 -1.0619 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7263 0.7975 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 -4.5273 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6031 2.9966 -0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6859 -3.4365 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 2.5951 -0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 2.5779 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8415 1.9943 0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 0.6217 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2965 -1.2541 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 2 33 1 0 0 0 0 3 20 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > DB07240 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LASWLEUVWJDDBA-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CCON=C1C2=C(C=CC=C2)C2=C1C=CC=C2 > InChI=1S/C16H13NO3/c18-15(19)9-10-20-17-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,18,19) > LASWLEUVWJDDBA-UHFFFAOYSA-N > C16H13NO3 > 267.2793 > 267.089543287 > 4 > 33 > -0.998368374646234 > 28.734773158072603 > 1 > 1 > 0 > 1 > 3-{[(9H-fluoren-9-ylidene)amino]oxy}propanoic acid > 2.67 > 2.876014219241602 > -4.13 > 0 > -1 > 3 > -1 > 4.225714177415198 > 3.3393545879375894 > 58.89 > 74.79970000000002 > 4 > 1 > 1.97e-02 g/l > biotin > 0 $$$$