| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:35 UTC |
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| Update Date | 2025-03-25 00:53:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197946 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N3O4+ |
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| Molecular Mass | 320.1605 |
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| SMILES | C[N+](C)(C)C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | ZTLNVBXIVPSKQP-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundsecondary aliphatic aminetetraalkylammonium saltazacycleheteroaromatic compoundindole or derivativessecondary amineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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