| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:18 UTC |
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| Update Date | 2025-03-21 18:35:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106161 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C22H20N2O5 |
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| Molecular Mass | 392.1372 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(Nc2cccc3ccccc23)cc1)C(=O)O |
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| InChI Key | AQYNJSUNZKCBNO-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 acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsnaphthalenesorganic oxidesorganopnictogen compoundssecondary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesaromatic homopolycyclic compoundglutamic acid or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amidenaphthaleneorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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