449146 -OEChem-10051720363D 18 18 0 0 0 0 0 0 0999 V2000 0.0244 -2.0231 0.0161 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 -1.3877 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 -0.1621 1.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 -0.1322 -1.1793 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 0.3036 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -0.7163 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7259 -0.4020 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 1.6377 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 0.9321 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1814 1.9519 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0087 -0.0018 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 2.4413 0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1901 1.1838 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4986 2.9906 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 -2.0898 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 -0.0155 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 -0.3523 -1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 -2.2465 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END > DB04476 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QCIDBNKTKNBPKM-UHFFFAOYSA-N/SDF?record_type=3d > NC(=O)C1=CC=CC(O)=C1O > InChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11) > QCIDBNKTKNBPKM-UHFFFAOYSA-N > C7H7NO3 > 153.1354 > 153.042593095 > 3 > 18 > -0.045235953360762575 > 14.131293838984664 > 1 > 3 > 0 > 0 > 2,3-dihydroxybenzamide > 0.42 > 0.8667554669999998 > -1.36 > 0 > 0 > 1 > 0 > 11.927945844026647 > 8.32455798611184 > -1.0919873870408248 > 83.55000000000001 > 39.0982 > 1 > 1 > 6.71e+00 g/l > biotin > 0 $$$$