| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:02:04 UTC |
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| Update Date | 2025-03-21 18:07:05 UTC |
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| HMDB ID | HMDB0125439 |
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| Metabolite Identification |
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| DeepMet ID | DMID00067092 |
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| Name | [2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid |
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| Frequency | 45.4 |
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| Structure | |
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| Chemical Formula | C15H12O10S |
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| Molecular Mass | 384.0151 |
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| SMILES | O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(OS(=O)(=O)O)c2)C1O |
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| InChI Key | XXWXCDFZCFSNKK-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 | flavans |
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| Direct Parent | flavanonols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketoneschromoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessecondary alcoholssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidsulfuric acid monoesteretheraryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketonephenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundchromanearylsulfateorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoidflavanonol1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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