| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:57 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O4S |
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| Molecular Mass | 272.1082 |
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| SMILES | CC(C)(O)Cc1ccc(C(C)(C)S(=O)(=O)O)cc1 |
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| InChI Key | WUTINUDEFGUQDZ-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesorganosulfonic acidssulfonylstertiary alcohols |
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| Substituents | alcoholorganosulfonic acid or derivativesorganosulfonic acidorganosulfur compoundphenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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