| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:36 UTC |
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| Update Date | 2025-03-21 18:37:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114236 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C11H16N2O2 |
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| Molecular Mass | 208.1212 |
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| SMILES | NC(Cc1ccccc1)CC(N)C(=O)O |
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| InChI Key | PWYSNZSXRRMCSK-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsamphetamines and derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidamphetamine or derivativesamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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