444764 -OEChem-10051719593D 22 22 0 0 0 0 0 0 0999 V2000 -2.5908 -2.4302 0.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 -2.4620 -0.5429 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 1.7747 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 0.3235 0.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 -1.5813 0.0259 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7662 -0.1024 0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5193 0.4465 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6492 -0.3709 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 1.8339 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9222 0.1992 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9352 2.4041 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 1.5867 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5355 -1.8241 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 0.5741 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1673 -0.3717 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 2.5344 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 -0.4088 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 -1.1176 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 3.4844 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0561 2.0311 -0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5069 -3.4075 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1026 -0.2607 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 M END > DB02622 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QBYNNSFEMMNINN-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C(=O)NC1=C(C=CC=C1)C(O)=O > InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15) > QBYNNSFEMMNINN-UHFFFAOYSA-N > C9H7NO5 > 209.1556 > 209.032422339 > 5 > 22 > -1.9996238007299794 > 18.53347535922776 > 1 > 3 > 0 > 1 > 2-(carboxyformamido)benzoic acid > 0.36 > 1.4781332363333333 > -2.36 > 0 > -2 > 1 > -2 > 3.577993485339882 > 2.1060214799258046 > -6.883658189895979 > 103.7 > 49.97210000000001 > 3 > 1 > 9.22e-01 g/l > tetrahydrofolic acid > 0 $$$$