| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:06 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O5S |
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| Molecular Mass | 258.0562 |
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| SMILES | CS(=O)(=O)OC(=O)CC(O)Cc1ccccc1 |
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| InChI Key | UOGZOSFDNBNWTD-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmethanesulfonatesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acids and derivativessecondary alcoholssulfonyls |
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| Substituents | alcoholorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl grouporganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundmethanesulfonatebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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