| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:44 UTC |
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| Update Date | 2025-03-25 00:59:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239493 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O8 |
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| Molecular Mass | 355.1016 |
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| SMILES | N=C(NOCCC(=O)C(=O)O)NC(Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | WYTHQDIGRAJPQY-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 ketonesalpha-keto acids and derivativesamphetamines and derivativesbenzene and substituted derivativescarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineimine1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivativescarboximidamide1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundketo aciddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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