| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:51 UTC |
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| Update Date | 2025-03-21 18:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033362 |
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| Frequency | 108.8 |
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| Structure | |
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| Chemical Formula | C5H6O4S |
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| Molecular Mass | 161.9987 |
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| SMILES | CC1=CC(=O)CS(=O)(=O)O1 |
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| InChI Key | IYAJZVQRSAIDPR-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesorganic oxidesorganosulfonic acid estersoxacyclic compoundssulfonic acid esters |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcyclic ketone1,2-oxathiinorganosulfonic acid esterketonesulfonic acid esteroxacycleorganic oxideorganic oxygen compoundorganic sulfonic acid or derivativesaliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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