| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:12 UTC |
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| Update Date | 2025-03-21 18:31:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086564 |
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| Frequency | 32.9 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | NC(CC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | XBXNKWOJVVXDBT-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 benzenoidsacryloyl compoundsalpha amino acidsamino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidenone1-hydroxy-4-unsubstituted benzenoidamino fatty acidhydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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