| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:00 UTC |
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| Update Date | 2025-03-21 18:07:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069334 |
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| Frequency | 43.5 |
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| Structure | |
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| Chemical Formula | C14H15N3O3+ |
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| Molecular Mass | 273.1108 |
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| SMILES | CC([N+])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | VYKWEVWZUPQGOD-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 heteropolycyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolealanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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