| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:28 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218587 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11N3O5S |
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| Molecular Mass | 297.0419 |
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| SMILES | Cn1cnc(C(=O)Nc2ccc(OS(=O)(=O)O)cc2)c1 |
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| InChI Key | ATNKTWDGDJETOJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoestersvinylogous amides |
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| Substituents | carbonyl groupsulfuric acid monoesteraromatic heteromonocyclic compoundcarboxylic acid derivative2-heteroaryl carboxamidephenylsulfatearomatic anilideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundarylsulfateimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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