| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:38 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O6S |
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| Molecular Mass | 244.0042 |
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| SMILES | O=C1Cc2c(cccc2OS(=O)(=O)O)CO1 |
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| InChI Key | KAUKNBUORCVRMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 2-benzopyrans |
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| Direct Parent | 2-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid ester2-benzopyransulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganooxygen compound |
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