| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:09 UTC |
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| Update Date | 2025-03-21 18:04:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048488 |
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| Frequency | 68.3 |
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| Structure | |
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| Chemical Formula | C7H6O6S |
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| Molecular Mass | 217.9885 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(c1)OCO2 |
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| InChI Key | IMWVUYDUSBOYJS-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 | acetalsbenzenoidsbenzodioxoleshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteroxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
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