| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:44 UTC |
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| Update Date | 2025-03-25 00:45:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO4 |
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| Molecular Mass | 275.1158 |
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| SMILES | CC(=O)NC(CC(=O)C(C)=Cc1ccccc1)C(=O)O |
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| InChI Key | NQUIXBMCVHWLMT-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 | acetamidesacryloyl compoundsalpha amino acidsalpha-branched alpha,beta-unsaturated ketonesamino fatty acidsbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidscinnamic acids and derivativesenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneketonecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideenonealpha-branched alpha,beta-unsaturated-ketonen-acyl-alpha-amino acidcarboxamide groupamino fatty acidbranched fatty acidgamma-keto acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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