| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:25 UTC |
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| Update Date | 2025-03-25 01:01:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250362 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18N4O4 |
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| Molecular Mass | 354.1328 |
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| SMILES | O=C(O)CNC(=O)c1ccc(NCC2NC(=O)c3ccccc3N2)cc1 |
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| InChI Key | HWUKCCJEPWHIGP-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdiazanaphthaleneshippuric acids and derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesquinazolinessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acidbenzoylbenzamideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amideazacyclehippuric acid or derivativesbenzoic acid or derivativessecondary aminecarboxamide groupn-acylglycinesecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineamineorganooxygen compound |
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