| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:28 UTC |
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| Update Date | 2025-03-21 18:41:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135097 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C9H6O7S |
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| Molecular Mass | 257.9834 |
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| SMILES | O=c1ccc2c(O)cc(OS(=O)(=O)O)cc2o1 |
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| InChI Key | TZRGYZAOHWURMH-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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfatesbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterbenzopyranorganic sulfuric acid or derivatives1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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