| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:28 UTC |
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| Update Date | 2025-03-25 00:57:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227637 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO5 |
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| Molecular Mass | 263.0794 |
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| SMILES | CC(=O)NC(C(=O)O)C(=O)C=Cc1ccccc1O |
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| InChI Key | DJQMBLMXEXENGE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesacryloyl compoundsalpha amino acidsamino fatty acidsbenzene and substituted derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidshydroxycinnamic acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketone1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonehydroxycinnamic acid or derivativesbeta-keto acidketonecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamideenonen-acyl-alpha-amino acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupamino fatty acidhydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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