| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:12 UTC |
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| Update Date | 2025-03-21 18:36:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113238 |
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| Frequency | 23.4 |
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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 | O=C(O)CC(OC(=O)C=Cc1cccc(O)c1)C(=O)O |
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| InChI Key | NZEPHLRZGYIHAN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | enoate esterfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxycinnamic acidaromatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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