| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:57 UTC |
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| Update Date | 2025-03-25 00:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182974 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8Cl2O5S |
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| Molecular Mass | 285.947 |
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| SMILES | O=S(=O)(O)Oc1c(Cl)cc(CCO)cc1Cl |
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| InChI Key | AWYYWOCFURHDKP-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 | alcohols and polyolsaryl chloridesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesphenoxy compoundssulfuric acid monoesterstyrosols and derivatives |
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| Substituents | aryl chloridechlorobenzenealcoholmonocyclic benzene moietysulfuric acid monoesterorganochlorideorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidtyrosol derivativehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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