| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:29 UTC |
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| Update Date | 2025-03-21 18:00:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027780 |
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| Frequency | 136.2 |
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| Structure | |
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| Chemical Formula | C9H9NO4S |
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| Molecular Mass | 227.0252 |
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| SMILES | Cc1cc2cccc(OS(=O)(=O)O)c2[nH]1 |
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| InChI Key | MWUKYWUKTCPRFN-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterazacycleindoleheteroaromatic compoundindole or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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