| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:25 UTC |
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| Update Date | 2025-03-21 18:30:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082404 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C15H17NO6 |
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| Molecular Mass | 307.1056 |
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| SMILES | COc1cc(C=CC(=O)CC(NC(C)=O)C(=O)O)ccc1O |
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| InChI Key | NKPMEGAUROZNSS-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-hydroxy-2-unsubstituted benzenoidsacetamidesacryloyl compoundsalkyl aryl ethersalpha amino acidsamino fatty acidsanisolescarbocyclic fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidshydroxycinnamic acidsketonesmedium-chain keto acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonehydroxycinnamic acid or derivativesketonecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamideenonen-acyl-alpha-amino acidcarboxamide groupamino fatty acidmethoxybenzenehydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidphenolhydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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