| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:55 UTC |
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| Update Date | 2025-03-21 18:31:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088208 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C13H18N2O6 |
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| Molecular Mass | 298.1165 |
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| SMILES | NC(CCc1cc(O)c(O)cc1CC(N)C(=O)O)C(=O)O |
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| InChI Key | HJBQMGWFBLEBGD-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 acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidtyrosine or derivatives3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxidephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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