| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:41 UTC |
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| Update Date | 2025-03-21 18:05:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059042 |
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| Frequency | 53.3 |
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| Structure | |
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| Chemical Formula | C17H22N3O5+ |
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| Molecular Mass | 348.1554 |
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| SMILES | C[N+](C)(C)C(C(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | TVHHLNCOBLYBNH-UHFFFAOYSA-O |
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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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acid amidesalpha amino acidsaminesazacyclic compoundsbenzenoidscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolessecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amidetetraalkylammonium saltazacyclen-acyl-alpha-amino acidquaternary ammonium saltheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compound |
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