| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:41 UTC |
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| Update Date | 2025-03-25 00:53:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198202 |
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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 | O=C(Cn1ccnc1)Nc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | HBNLGJRZNHDYAN-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | anilidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-arylamidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundn-arylamidecarboxylic acid derivativephenylsulfateorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundcarboxamide groupanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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