| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:34 UTC |
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| Update Date | 2025-03-25 00:47:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163737 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O6S |
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| Molecular Mass | 272.0355 |
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| SMILES | CC1(C)CC(=O)Oc2cc(OS(=O)(=O)O)ccc21 |
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| InChI Key | JSVSWWGTLJWWQN-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-benzopyransarylsulfatesbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupbenzopyranorganic sulfuric acid or derivatives1-benzopyran3,4-dihydrocoumarincarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterchromanesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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