| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:07 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O5S |
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| Molecular Mass | 230.0249 |
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| SMILES | COc1ccccc1S(=O)(=O)OC(C)=O |
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| InChI Key | QFNQHIMZBWJCCL-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 | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetate saltsalkyl aryl ethersanisolesarylsulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganic saltsphenoxy compoundssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesbenzenesulfonate estercarbonyl groupetheracetate saltalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganic saltbenzenesulfonyl groupmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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