| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:55 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178370 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO5 |
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| Molecular Mass | 251.0794 |
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| SMILES | COC(=O)C(Cc1ccc(O)cc1)N=CC(=O)O |
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| InChI Key | BALNJMXRZJUKPA-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 benzenoidsaldiminesalpha amino acid estersalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersorganic oxidesorganopnictogen compoundsphenylalanine and derivativespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidimine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivativesalpha-amino acid esterorganic 1,3-dipolar compoundaromatic homomonocyclic compoundfatty acid esterphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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