| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:12 UTC |
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| Update Date | 2025-03-21 18:06:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062653 |
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| Frequency | 49.4 |
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| Structure | |
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| Chemical Formula | C11H14O8S |
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| Molecular Mass | 306.0409 |
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| SMILES | O=C1CCC(Cc2cc(O)c(O)c(O[SH](=O)(O)O)c2)O1 |
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| InChI Key | YXRVKAQVJPINMY-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 benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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