Marvin 09260610562D 11 11 0 0 0 0 999 V2000 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 4 2 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 4 5 1 0 0 0 0 9 5 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 M END > CHEBI:18280 > phenylglyoxylic acid > A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group. > 3 > CHEBI:39582; CHEBI:10323; CHEBI:25993 > Phenylglyoxylic acid; Phenylglyoxylate; Benzoylformic acid; Benzoylformate; BENZOYL-FORMIC ACID; benzeneglyoxylic acid; alpha-Oxo-benzeneacetic acid; alpha-ketophenylacetic acid; 2-phenylethanoic acid; 2-oxo-2-phenylacetic acid; 2-Oxo-2-phenylacetate > oxo(phenyl)acetic acid > C8H6O3 > 150.13144 > 150.03169 > 0 > OC(=O)C(=O)c1ccccc1 > InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) > FAQJJMHZNSSFSM-UHFFFAOYSA-N > 606718 > 611-73-4 > 102031 > 606718 > 611-73-4 > DB02279 > C02137 > PHENYLGLYOXYLATE > 611-73-4 > 173 > Phenylglyoxylic_acid > 14598013; 20931367; 22750350; 7066236 $$$$