| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:00 UTC |
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| Update Date | 2025-03-21 18:41:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136359 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C17H20O7 |
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| Molecular Mass | 336.1209 |
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| SMILES | CCC(CCC(=O)CC(=O)O)COC(=O)c1ccccc1C(=O)O |
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| InChI Key | OAKFMMRHBGDFFM-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 compoundsbenzoic acidsbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidcarboxylic acid esterhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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