| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:45 UTC |
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| Update Date | 2025-03-25 00:46:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155250 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO4S |
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| Molecular Mass | 191.0252 |
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| SMILES | Cc1cc(OS(=O)(=O)O)cn1C |
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| InChI Key | SDHUXOSADRDYLY-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestern-methylpyrrolearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrroleorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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