| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:58 UTC |
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| Update Date | 2025-03-25 00:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6BrNO4S |
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| Molecular Mass | 290.9201 |
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| SMILES | O=S(=O)(O)Oc1ccc2cc(Br)[nH]c2c1 |
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| InChI Key | GMCPRDAXLBHHDL-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 | aryl bromidesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterindoleorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesaryl halideorganic oxygen compoundpyrroleorganobromidesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esteraryl bromideorganooxygen compound |
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