| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:08 UTC |
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| Update Date | 2025-03-21 18:05:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057758 |
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| Frequency | 54.9 |
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| Structure | |
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| Chemical Formula | C13H17NO6 |
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| Molecular Mass | 283.1056 |
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| SMILES | CC(O)C(NC(Cc1ccc(O)cc1)C(=O)O)C(=O)O |
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| InChI Key | SMWSHUDHIIRIJR-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 benzenoidsalpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholsecondary aliphatic aminetyrosine or derivativeshydroxy acidsecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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