| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:13 UTC |
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| Update Date | 2025-03-25 00:46:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO3 |
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| Molecular Mass | 223.1208 |
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| SMILES | Cc1c(O)cc(CC(N)C(=O)O)c(C)c1C |
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| InChI Key | OIEQZEDUNGLAHR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmeta cresolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolspara cresolsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganic oxidep-cresolo-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesm-cresolaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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