| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:53 UTC |
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| Update Date | 2025-03-21 18:34:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100201 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C9H8O3 |
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| Molecular Mass | 164.0473 |
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| SMILES | O=CCc1ccccc1C(=O)O |
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| InChI Key | KQKRQFMIOQHRTK-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-hydrogen aldehydesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidbenzoylaldehydebenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compoundphenylacetaldehyde |
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