| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:06 UTC |
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| Update Date | 2025-03-21 18:31:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084023 |
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| Frequency | 59.6 |
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| Structure | |
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| Chemical Formula | C17H16N2O6 |
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| Molecular Mass | 344.1008 |
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| SMILES | O=C1CC(=CC=NC(Cc2ccc(O)cc2)C(=O)O)C=C(C(=O)O)N1 |
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| InChI Key | WKLOYFJMRIEYQR-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaldiminesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidestetrahydropyridines |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidimine1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativestyrosine or derivativesazacycletetrahydropyridineorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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