1066 -OEChem-10051719423D 17 17 0 0 0 0 0 0 0999 V2000 1.9944 -1.2138 -1.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 2.8817 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 -1.2290 1.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 1.5979 0.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7089 0.9004 -0.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.7503 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4014 0.5571 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8871 -1.7711 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2417 -1.4577 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5973 -0.1187 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 -1.0795 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 1.6830 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5795 -2.8133 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -2.2369 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6407 0.1786 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 -1.4357 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 3.6342 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M END > DB01796 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GJAWHXHKYYXBSV-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=CC=CN=C1C(O)=O > InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) > GJAWHXHKYYXBSV-UHFFFAOYSA-N > C7H5NO4 > 167.1189 > 167.021857653 > 5 > 17 > -1.8752246631053737 > 14.34239790996518 > 1 > 2 > 0 > 0 > pyridine-2,3-dicarboxylic acid > 0.15 > -1.1966518096909808 > -1.61 > 0 > -2 > 1 > -2 > 4.161198082120144 > 0.3139276196351637 > 6.672966342162064 > 87.49000000000001 > 38.0415 > 2 > 1 > 4.07e+00 g/l > tetrahydrofolic acid > 0 $$$$