| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:19 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5ClO7S |
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| Molecular Mass | 267.9445 |
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| SMILES | O=C(O)c1cc(O)c(Cl)cc1OS(=O)(=O)O |
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| InChI Key | RTUMGMCJHWZWQV-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 compounds1-hydroxy-2-unsubstituted benzenoids4-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloride2-chlorophenolchlorobenzenehalobenzoic acid4-halobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivativesaryl halidehydroxybenzoic acid4-halobenzoic acid or derivativesaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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