| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:45 UTC |
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| Update Date | 2025-03-21 18:34:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102390 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C9H14N4O4 |
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| Molecular Mass | 242.1015 |
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| SMILES | NC(=O)c1ncn(C2CC(O)C(O)C2O)c1N |
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| InChI Key | RJGSQKQRSOXMIX-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 | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativescyclitols and derivativescyclopentanolsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivatives2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycleheteroaromatic compoundcyclitol or derivativescyclic alcoholcyclopentanolorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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