| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:02 UTC |
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| Update Date | 2025-03-21 18:40:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129519 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C13H15N3O3 |
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| Molecular Mass | 261.1113 |
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| SMILES | NC(=O)NC(CCc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | PXSCGEJCTGLMMP-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-carbamoyl-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 derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacyclen-carbamoyl-alpha-amino acidheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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