| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:47 UTC |
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| Update Date | 2025-03-21 18:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035585 |
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| Frequency | 133.3 |
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| Structure | |
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| Chemical Formula | C8H12N4O2 |
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| Molecular Mass | 196.096 |
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| SMILES | CC(=O)NC(Cc1c[nH]cn1)C(N)=O |
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| InChI Key | JEJJSUSQDDAEKQ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouparomatic heteromonocyclic compoundfatty amideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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