Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:29 UTC |
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Update Date | 2025-03-21 18:35:09 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104198 |
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Frequency | 26.0 |
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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=c1ccc2cc(OS(=O)(=O)O)c(O)cc2o1 |
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InChI Key | XZTWKBUEJUJJPR-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 | hydroxycoumarins |
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Direct Parent | 7-hydroxycoumarins |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsarylsulfatesbenzenoidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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Substituents | sulfuric acid monoesterbenzopyranorganic sulfuric acid or derivatives7-hydroxycoumarin1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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