| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:48 UTC |
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| Update Date | 2025-03-21 18:36:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109879 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C18H17N3O3 |
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| Molecular Mass | 323.127 |
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| SMILES | Nc1ccccc1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | XGFMMKPSAOZZIO-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyrrolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindolebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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