| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:32 UTC |
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| Update Date | 2025-03-21 18:40:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128346 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C11H15N3O3 |
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| Molecular Mass | 237.1113 |
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| SMILES | N=C(NCC(=O)O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | CBQXFTYRSBYWFG-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamidinesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesamidinecarboximidamidecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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