| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:30 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13ClN4O3 |
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| Molecular Mass | 260.0676 |
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| SMILES | NC(=O)c1ncn(C2CC(O)C(CCl)O2)c1N |
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| InChI Key | MPCCLWVKIMFKAB-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 | alkyl chloridesamino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-substituted imidazolesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsprimary aminesprimary carboxylic acid amidessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesalkyl chlorideorganochloridemonosaccharideorganohalogen compound2-heteroaryl carboxamidesaccharideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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