| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:36 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20N2O6 |
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| Molecular Mass | 396.1321 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(NC2Cc3ccccc3C2=O)cc1)C(=O)O |
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| InChI Key | XPYYVDTVLODFLH-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 homopolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesindanonesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acidbenzoylbenzamideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesindanonebenzoic acid or derivativesaromatic homopolycyclic compoundglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundindanedicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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