| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:44 UTC |
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| Update Date | 2025-03-21 18:33:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097415 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C8H8O2S |
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| Molecular Mass | 168.0245 |
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| SMILES | CS(=O)C(=O)c1ccccc1 |
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| InChI Key | GBLWMMQTBZJCSM-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 | benzyl sulfoxides |
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| Direct Parent | benzyl alkyl sulfoxides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acids and derivativesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfinyl compoundssulfoxidesthiobenzoic acids and derivativesthiolactones |
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| Substituents | benzoylbenzoic acid or derivativesorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativethiolactonebenzyl alkyl sulfoxidethiobenzoic acid or derivativesorganooxygen compound |
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