| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:01 UTC |
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| Update Date | 2025-03-25 00:50:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180846 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20N2O6 |
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| Molecular Mass | 384.1321 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(N2Cc3ccccc3C2O)cc1)C(=O)O |
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| InChI Key | UPGVWQLTGKNPDT-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkanolaminesalpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesisoindolesisoindolinesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzamideorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineorganoheterocyclic compoundalkanolaminen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidisoindolehippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundisoindole or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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