| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:00 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155841 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O3S |
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| Molecular Mass | 198.0351 |
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| SMILES | CSCc1c(O)cccc1C(=O)O |
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| InChI Key | URSHIIXPCVDISK-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 | benzoic acids and derivatives |
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| Direct Parent | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfenyl compounds |
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| Substituents | carboxylic acidsulfenyl compounddialkylthioetherbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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