| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:34 UTC |
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| Update Date | 2025-03-21 18:41:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133089 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C16H20O7 |
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| Molecular Mass | 324.1209 |
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| SMILES | CCC(CCCC(=O)O)COC(=O)c1ccc(O)cc1C(=O)O |
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| InChI Key | YQZLPCVTYNKEAC-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 | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativeshydroxybenzoic acid derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativep-hydroxybenzoic acid alkyl esterhydroxybenzoic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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