| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:52 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155548 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O3S |
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| Molecular Mass | 196.0194 |
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| SMILES | Cc1ccc2c(c1)C=CS(=O)(=O)O2 |
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| InChI Key | CCQDXGDHPIRRFT-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 | oxathiins |
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| Subclass | oxathiins |
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| Direct Parent | oxathiins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersoxacyclic compoundssulfonic acid esters |
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| Substituents | organosulfonic acid or derivatives1,2-oxathiinorganosulfonic acid estersulfonic acid esteroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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