| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:08 UTC |
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| Update Date | 2025-03-25 00:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240403 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O2 |
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| Molecular Mass | 233.1164 |
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| SMILES | NC(Cc1ccccc1)C1=NC(C(=O)O)CN1 |
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| InChI Key | KBIVLSAVZGPTES-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamidinesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesimidazolinesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesamidinecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundamphetamine or derivativesazacycleorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compound2-imidazolineimidazolinehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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