| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:43 UTC |
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| Update Date | 2025-03-25 01:01:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O3S |
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| Molecular Mass | 240.082 |
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| SMILES | O=C(O)CCCCS(=O)Cc1ccccc1 |
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| InChI Key | ORGYGOMPNVXBKO-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfinyl compoundssulfoxides |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativebenzyl alkyl sulfoxideorganooxygen compound |
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