| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:24 UTC |
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| Update Date | 2025-03-25 00:45:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149742 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O7 |
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| Molecular Mass | 280.0583 |
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| SMILES | CC(CC(=O)C(=O)O)OC(=O)c1ccccc1C(=O)O |
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| InChI Key | FGQSXDZQWIHSEW-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzoic acidsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate esteralpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto acidhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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