| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:17 UTC |
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| Update Date | 2025-03-25 00:51:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4 |
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| Molecular Mass | 252.111 |
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| SMILES | CC(NC(=O)c1ccc(NCCO)cc1)C(=O)O |
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| InChI Key | BQANFAQPBJMWAQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alanine and derivativesalcohols and polyolsalkanolaminesalpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminen-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhippuric acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminealanine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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