| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:44 UTC |
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| Update Date | 2025-03-25 00:46:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155223 |
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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 | Cc1cc2c(cc1C)S(=O)(=O)OCC2(C)C |
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| InChI Key | UCVQMROXCJGCCN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzoxathiins |
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| Subclass | benzoxathiins |
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| Direct Parent | benzoxathiins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersoxacyclic compoundsoxathiins |
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| Substituents | organosulfonic acid or derivatives1,2-benzooxathiin1,2-oxathiinorganosulfonic acid esteroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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