| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:15 UTC |
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| Update Date | 2025-03-25 00:54:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204097 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H8O7S |
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| Molecular Mass | 307.9991 |
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| SMILES | O=c1oc2ccc(OS(=O)(=O)O)c(O)c2c2ccccc12 |
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| InChI Key | CJAHUCFYXVQRNA-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-4-unsubstituted benzenoids2-benzopyransarylsulfatesbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterbenzopyranorganic sulfuric acid or derivatives1-benzopyranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidisocoumarincoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonesulfate-esterhydrocarbon derivativearylsulfatebenzenoidsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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