| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:10 UTC |
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| Update Date | 2025-03-21 18:37:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115619 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | NC(Cc1ccccc1)C(=C=O)NCC(=O)O |
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| InChI Key | ZGYYGZCBBNITJD-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 | alpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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