| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:19 UTC |
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| Update Date | 2025-03-21 18:30:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082152 |
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| Frequency | 35.2 |
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| Structure | |
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| Chemical Formula | C19H19NO9 |
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| Molecular Mass | 405.106 |
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| SMILES | O=C(O)C1=CC(=CC=NC(Cc2ccc(O)c(O)c2)C(=O)O)CC(O)(C(=O)O)C1 |
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| InChI Key | AGWMLCPNUGSEND-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 benzenoidsaldiminesalpha amino acidsalpha hydroxy acids and derivativesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidiminealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholtyrosine or derivativesorganic 1,3-dipolar compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundtertiary alcoholphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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