CHEBI:186650 - [2-methoxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

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ChEBI Name [2-methoxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
ChEBI ID CHEBI:186650
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H14O10S
Net Charge 0
Average Mass 398.340
Monoisotopic Mass 398.03077
InChI InChI=1S/C16H14O10S/c1-24-11-4-7(2-3-10(11)26-27(21,22)23)16-15(20)14(19)13-9(18)5-8(17)6-12(13)25-16/h2-6,15-18,20H,1H3,(H,21,22,23)
InChIKey PTRIFCOTNHIJMK-UHFFFAOYSA-N
SMILES S(OC1=C(OC)C=C(C2OC=3C(C(=O)C2O)=C(O)C=C(O)C3)C=C1)(O)(=O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing [2-methoxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:186650) is a ether (CHEBI:25698)
[2-methoxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:186650) is a flavonoids (CHEBI:72544)
IUPAC Name
[2-methoxy-4-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate
Manual Xrefs Databases
74851937 ChemSpider
HMDB0126581 HMDB
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