| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:12 UTC |
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| Update Date | 2025-03-25 00:57:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227059 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O3 |
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| Molecular Mass | 197.08 |
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| SMILES | CC(CC(=O)c1[nH]cnc1N)C(=O)O |
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| InChI Key | VSQFNAYDSUTCPU-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaryl alkyl ketonesazacyclic compoundscarbonylimidazolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeketoneorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupimidolactamorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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