| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:20 UTC |
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| Update Date | 2025-03-21 18:40:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130242 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C11H8N2O4S |
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| Molecular Mass | 264.0205 |
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| SMILES | O=S(=O)(O)Oc1ccc2[nH]c3ccccc3c2n1 |
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| InChI Key | IHHXYRGDKCRGTC-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 | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterindolepolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineindole or derivativespyridineorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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