| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:21 UTC |
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| Update Date | 2025-03-21 18:00:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029785 |
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| Frequency | 125.3 |
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| Structure | |
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| Chemical Formula | C9H8O8S |
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| Molecular Mass | 275.994 |
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| SMILES | O=C1Oc2c(O)cc(O)cc2CC1OS(=O)(=O)O |
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| InChI Key | CPWQLFGHPKMRFF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | 3,4-dihydrocoumarins |
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| Subclass | 3,4-dihydrocoumarins |
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| Direct Parent | 3,4-dihydrocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl group1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundalkyl sulfatechromaneorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3,4-dihydrocoumarin1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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