| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:00:22 UTC |
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| Update Date | 2025-03-21 18:06:25 UTC |
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| HMDB ID | HMDB0129980 |
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| Metabolite Identification |
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| DeepMet ID | DMID00062997 |
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| Name | [4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid |
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| Frequency | 49.1 |
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| Structure | |
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| Chemical Formula | C15H12O8S |
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| Molecular Mass | 352.0253 |
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| SMILES | O=C1c2c(O)cc(O)cc2OCC1c1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | OCPHPSWPABQPIU-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 | isoflavonoids |
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| Subclass | isoflavans |
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| Direct Parent | isoflavanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketoneschromoneshydrocarbon derivativesisoflavanonesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherisoflavanoneketonephenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundchromanearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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