| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:50:52 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | HMDB0133387 |
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| Metabolite Identification |
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| DeepMet ID | DMID00040580 |
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| Name | [3-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid |
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| Frequency | 85.1 |
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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=C1CC(c2cccc(OS(=O)(=O)O)c2)Oc2cc(O)cc(O)c21 |
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| InChI Key | HWRCFSJQFXZIFY-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 | flavanones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketoneschromoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketonephenylsulfateorganic oxidechromonearomatic heteropolycyclic compoundchromanearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compound7-hydroxyflavonoidsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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