| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:15 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156378 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O7S |
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| Molecular Mass | 304.0617 |
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| SMILES | C[SH](=O)(O)Oc1cc(CC2CCC(=O)O2)cc(O)c1O |
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| InChI Key | WKOMKCJLNNILNI-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkylthiolscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundalkylthiolorganoheterocyclic compoundorganooxygen compound |
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