| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:05 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151327 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15N3O3 |
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| Molecular Mass | 285.1113 |
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| SMILES | N#CCCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | RINJAYIFOUGTAE-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupnitrilecarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrileorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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