736299 -OEChem-10051720393D 23 24 0 0 0 0 0 0 0999 V2000 -2.6588 -1.9495 -0.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3165 1.3735 0.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9408 2.1071 -0.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 0.3819 0.5248 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 0.4262 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8788 -0.9829 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 1.0142 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 -1.7625 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 0.2244 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 -1.1614 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 1.2058 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 -1.5709 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1941 0.6047 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3031 -0.7811 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9614 0.8705 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 2.0982 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -2.8476 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8679 2.2910 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -2.6521 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 -1.2612 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4632 -1.4075 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.7939 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8231 2.5351 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 21 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 14 20 1 0 0 0 0 M END > DB04641 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QMWOUSYSNFCKAZ-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=C(O)C=C2C=CC(O)=CC2=C1 > InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15) > QMWOUSYSNFCKAZ-UHFFFAOYSA-N > C11H8O4 > 204.1788 > 204.042258744 > 4 > 23 > -1.0015560106856927 > 19.765434845016745 > 1 > 3 > 0 > 1 > 3,7-dihydroxynaphthalene-2-carboxylic acid > 2.38 > 2.663174837333333 > -2.62 > 0 > -1 > 2 > -1 > 9.794152770385821 > 2.691047411302435 > -5.496940951452176 > 77.76 > 53.72619999999999 > 1 > 1 > 4.90e-01 g/l > tetrahydrofolic acid > 0 $$$$