| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:04 UTC |
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| Update Date | 2025-03-25 00:56:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220005 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O |
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| Molecular Mass | 217.1215 |
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| SMILES | Cc1c2[nH]c(c1CC(N)C(N)=O)C=CC=C2 |
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| InChI Key | KXIUENFKLSTDSY-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazepinescarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrroles |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupazacycleheteroaromatic compoundfatty amidecarboxamide grouporganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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