| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:52 UTC |
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| Update Date | 2025-03-21 18:38:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119671 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C10H13NO5 |
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| Molecular Mass | 227.0794 |
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| SMILES | Cc1c(CC(N)C(=O)O)cc(O)c(O)c1O |
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| InChI Key | KOUDNKMRLVZGRF-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmeta cresolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho cresolspara cresolsphenylalanine and derivativesphenylpropanoic acidspyrogallols and derivativestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganic oxidep-cresolo-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativespyrogallol derivativetyrosine or derivativesm-cresolbenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundtolueneorganooxygen compound |
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