| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:05 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O2 |
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| Molecular Mass | 231.1008 |
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| SMILES | NC(CCC(=O)O)c1cnc2ccccc2n1 |
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| InChI Key | GEMONIVZUXZCLX-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinesquinoxalines |
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| Substituents | quinoxalinecarbonyl groupcarboxylic acidazacyclegamma amino acid or derivativesheteroaromatic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddiazanaphthalenearomatic heteropolycyclic compoundpyrazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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