| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:17 UTC |
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| Update Date | 2025-03-21 18:07:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067583 |
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| Frequency | 44.9 |
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| Structure | |
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| Chemical Formula | C9H8N2O |
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| Molecular Mass | 160.0637 |
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| SMILES | O=C1CN=C(c2ccccc2)N1 |
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| InChI Key | KFBMCKOKEPUGSN-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acids and derivativeshydrocarbon derivativesimidazolinonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundcarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compound2-imidazolineimidazolineorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinonehydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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