| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:57 UTC |
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| Update Date | 2025-03-21 18:37:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117522 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C12H12O9S |
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| Molecular Mass | 332.0202 |
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| SMILES | O=C1CCC(Cc2cc(O)cc(OC(=O)OS(=O)(=O)O)c2)O1 |
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| InChI Key | BYLMVFAOEYLUHO-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 carbonic acids and derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundcarbonic acid derivativeorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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