| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:44 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N4O3 |
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| Molecular Mass | 248.0909 |
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| SMILES | NC(CC(=O)O)C(=O)Nc1nc2ccccc2[nH]1 |
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| InChI Key | GHIMWWTYVNSAGY-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidsbenzimidazolescarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amiden-arylamideorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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