| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:32 UTC |
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| Update Date | 2025-03-25 00:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227786 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O6 |
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| Molecular Mass | 264.0634 |
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| SMILES | CC(=O)CC(=O)OC(=O)C=Cc1ccc(O)c(O)c1 |
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| InChI Key | FNAOADWXLZXUMC-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 derivativesbeta-keto acids and derivativescarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidhydroxycinnamic acidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundketo acidcarboxylic acid anhydridedicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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