| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:55 UTC |
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| Update Date | 2025-03-21 18:36:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110140 |
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| Frequency | 24.2 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | O=C(O)CNC(CO)Cc1ccccc1 |
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| InChI Key | RJSFXKMALLNDBS-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 derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholamphetamine or derivativesalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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