| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:34 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9ClO6S |
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| Molecular Mass | 267.9808 |
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| SMILES | COc1ccc(C(O)OS(=O)(=O)O)cc1Cl |
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| InChI Key | ACFZUFIEYXMGSZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfatesaromatic alcoholsaryl chlorideschlorobenzeneshydrocarbon derivativesmethoxybenzenesorganic oxidesorganochloridesphenoxy compoundssulfuric acid monoesters |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoesteretherorganochloridealkyl aryl etherorganohalogen compoundorganic oxidealkyl sulfatearyl chloridechlorobenzeneorganic sulfuric acid or derivativesmethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativehalobenzenephenoxy compoundsulfuric acid esterorganooxygen compound |
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