| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:23 UTC |
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| Update Date | 2025-03-25 01:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248006 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O6 |
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| Molecular Mass | 278.079 |
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| SMILES | CC(=O)CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | RTZUTZDMIRINPU-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 benzenoidsbenzene and substituted derivativescarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesketonesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxideenoate esterhydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundketo acidcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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