| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:42 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177859 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H23N3O5 |
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| Molecular Mass | 409.1638 |
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| SMILES | Cc1cc2ncn(Cc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2cc1C |
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| InChI Key | YOVATTGIUZCEDX-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 | alpha amino acidsazacyclic compoundsbenzimidazolesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativesimidazolesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzamideorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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