| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:13 UTC |
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| Update Date | 2025-03-21 17:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011313 |
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| Frequency | 409.6 |
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| Structure | |
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| Chemical Formula | C11H12O5S |
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| Molecular Mass | 256.0405 |
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| SMILES | O=C1CCC(Cc2cc(O)cc(S(=O)O)c2)O1 |
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| InChI Key | WENKCOUYBGNMRO-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssulfinic acidstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuransulfinic acid derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativesulfinic acidgamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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