| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:49 UTC |
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| Update Date | 2025-03-21 18:40:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131394 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C12H13NO7 |
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| Molecular Mass | 283.0692 |
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| SMILES | O=C(O)C(Cc1ccc(O)cc1)NC(C(=O)O)C(=O)O |
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| InChI Key | GMJIFCOEOLCKSY-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 | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminetyrosine or derivativessecondary aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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