| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:38 UTC |
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| Update Date | 2025-03-21 18:04:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049661 |
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| Frequency | 66.4 |
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| Structure | |
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| Chemical Formula | C9H6O4 |
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| Molecular Mass | 178.0266 |
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| SMILES | O=CC(=O)c1ccccc1C(=O)O |
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| InChI Key | BVNXSQRWQGKXQJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylacetaldehydes |
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| Direct Parent | phenylacetaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha ketoaldehydesaryl ketonesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidbenzoylaldehydebenzoic acid or derivativescarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidalpha-ketoaldehydeorganooxygen compoundaryl ketonephenylacetaldehyde |
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