| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:48 UTC |
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| Update Date | 2025-03-25 00:54:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205361 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO7 |
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| Molecular Mass | 285.0849 |
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| SMILES | NC(Cc1c(O)cc(O)cc1CC(O)C(=O)O)C(=O)O |
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| InChI Key | UWWFIGGINCUCKI-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 acidsalpha hydroxy acids and derivativesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidsresorcinolssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidresorcinolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholtyrosine or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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