| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183496 |
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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)c1ccc(OS(=O)(=O)O)c(O)c1Cl |
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| InChI Key | POCHRRRLDWKAOV-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-4-unsubstituted benzenoids2-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsphenoxy compoundssulfuric acid monoestersvinylogous halides |
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| Substituents | monocyclic benzene moiety2-halobenzoic acidsulfuric acid monoestercarboxylic acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundphenylsulfateorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloride2-chlorophenolchlorobenzenehalobenzoic acidbenzoic acid or derivativeshalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidvinylogous halide2-halobenzoic acid or derivativesaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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