86 -OEChem-10051720193D 18 18 0 0 0 0 0 0 0999 V2000 -2.7423 1.2609 0.1166 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7915 -0.8465 0.5198 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4719 1.1737 -0.4717 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 2.0888 0.1342 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4051 0.7180 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 -0.2483 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7461 0.3337 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -1.5987 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 -1.0167 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 -1.9829 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 0.1180 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 -2.3754 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1246 -1.3307 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3453 -3.0341 -0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8956 2.3885 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8072 2.7782 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 0.8065 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 -0.5925 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 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 > DB03644 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WJXSWCUQABXPFS-UHFFFAOYSA-N/SDF?record_type=3d > NC1=C(O)C=CC=C1C(O)=O > InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) > WJXSWCUQABXPFS-UHFFFAOYSA-N > C7H7NO3 > 153.1354 > 153.042593095 > 4 > 18 > -0.9990829990680521 > 14.18473050411826 > 1 > 3 > 0 > 0 > 2-amino-3-hydroxybenzoic acid > 0.81 > 1.148337448333333 > -1.16 > 0 > -1 > 1 > -1 > 10.367676493177447 > 1.9368311681755785 > 4.81889092275183 > 83.55000000000001 > 39.9955 > 1 > 1 > 1.05e+01 g/l > tetrahydrofolic acid > 0 $$$$