| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:25 UTC |
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| Update Date | 2025-03-21 18:04:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051453 |
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| Frequency | 63.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5S |
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| Molecular Mass | 243.0201 |
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| SMILES | COc1ccc2c(OS(=O)(=O)O)c[nH]c2c1 |
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| InChI Key | RJBLLILNWNGWTC-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 | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretherindolealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic oxygen compoundanisolepyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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