| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:28 UTC |
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| Update Date | 2025-03-21 18:35:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104138 |
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| Frequency | 26.0 |
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| Structure | |
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| Chemical Formula | C10H12N2O5 |
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| Molecular Mass | 240.0746 |
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| SMILES | NC(=O)CCC(NC(=O)c1ccco1)C(=O)O |
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| InChI Key | IZSIRFMPSYGMKH-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidscarbonyl compoundscarboxylic acidsfatty amidesfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylfurancarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundfatty amide2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesfuroic acid or derivativesn-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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