| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:20 UTC |
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| Update Date | 2025-03-21 18:31:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084546 |
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| Frequency | 33.9 |
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| Structure | |
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| Chemical Formula | C7H5ClO6S |
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| Molecular Mass | 251.9495 |
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| SMILES | O=C(O)c1cc(Cl)ccc1OS(=O)(=O)O |
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| InChI Key | FQDFOPBQSONSPP-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 | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxide3-halobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenehalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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