| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:41 UTC |
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| Update Date | 2025-03-21 18:40:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128711 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C12H16O5S |
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| Molecular Mass | 272.0718 |
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| SMILES | CS(=O)(=O)OC(=O)CCC(O)Cc1ccccc1 |
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| InChI Key | PRKCHBSPFRMKTL-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl 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 compoundmethanesulfonateorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganooxygen compound |
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