| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:00:47 UTC |
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| Update Date | 2025-03-21 18:06:36 UTC |
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| HMDB ID | HMDB0133369 |
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| Metabolite Identification |
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| DeepMet ID | DMID00064029 |
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| Name | [5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid |
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| Frequency | 48.1 |
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| Structure | |
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| Chemical Formula | C15H10O9S |
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| Molecular Mass | 366.0046 |
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| SMILES | O=c1cc(-c2ccc(O)c(OS(=O)(=O)O)c2)oc2cc(O)cc(O)c12 |
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| InChI Key | PEQKOWDFKUBMQH-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 | flavonoids |
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| Subclass | hydroxyflavonoids |
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| Direct Parent | 5-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids7-hydroxyflavonoidschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundsphenoxy compoundsphenylsulfatespyranones and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundpyranonearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivativesheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundpyran7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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