| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:13 UTC |
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| Update Date | 2025-03-21 18:35:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105959 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C9H13NO2S |
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| Molecular Mass | 199.0667 |
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| SMILES | NCCSCc1ccc(O)c(O)c1 |
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| InChI Key | GGAOWDHDJSFBEY-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietysulfenyl compounddialkylthioether1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundaromatic homomonocyclic compoundorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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