| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:07 UTC |
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| Update Date | 2025-03-21 18:02:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038840 |
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| Frequency | 89.9 |
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| Structure | |
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| Chemical Formula | C9H10O3S |
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| Molecular Mass | 198.0351 |
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| SMILES | CS(=O)Cc1ccc(C(=O)O)cc1 |
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| InChI Key | DUJQJVQTAFTFQT-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 acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfinyl compoundssulfoxides |
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| Substituents | carboxylic acidbenzoylbenzoic acid or derivativesorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativebenzoic acidbenzyl alkyl sulfoxideorganooxygen compound |
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