| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:49 UTC |
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| Update Date | 2025-03-21 18:00:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026222 |
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| Frequency | 146.2 |
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| Structure | |
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| Chemical Formula | C6H6O6S |
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| Molecular Mass | 205.9885 |
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| SMILES | Cc1occc(=O)c1OS(=O)(=O)O |
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| InChI Key | PVWYGTJERKKPRW-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 | cyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteraromatic heteromonocyclic compoundheteroaromatic compoundcyclic ketoneoxacycleorganic oxideorganic oxygen compoundpyranpyranonesulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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