| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:04 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222350 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O7S |
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| Molecular Mass | 259.9991 |
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| SMILES | O=C1c2cccc(OS(=O)(=O)O)c2OCC1O |
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| InChI Key | DJZHPOBWCSZQNI-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 | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesarylsulfatesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesteretheraryl alkyl ketonealkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundarylsulfatealcoholorganic sulfuric acid or derivativesoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaryl ketone |
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