| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:51 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171228 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO5 |
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| Molecular Mass | 265.095 |
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| SMILES | CC(=O)NC(CC(=O)C(=O)O)Cc1ccc(O)cc1 |
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| InChI Key | BLVBPKDXBWTLBS-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesalpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidsamphetamines and derivativesbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-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 acidgamma amino acid or derivatives1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acidacetamideamphetamine or derivativescarboxamide groupamino fatty acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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