CHEBI:187271 - [2-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid

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ChEBI Name [2-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid
ChEBI ID CHEBI:187271
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O11S
Net Charge 0
Average Mass 466.410
Monoisotopic Mass 466.05698
InChI InChI=1S/C20H18O11S/c21-10-6-11(22)16(19-20(31-32(26,27)28)17(25)13(24)8-29-19)18-15(10)12(23)7-14(30-18)9-4-2-1-3-5-9/h1-7,13,17,19-22,24-25H,8H2,(H,26,27,28)
InChIKey PATPNPZJXVMKBT-UHFFFAOYSA-N
SMILES S(OC1C(OCC(O)C1O)C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=CC=C4)(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-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid (CHEBI:187271) is a C-glycosyl compound (CHEBI:20857)
[2-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-4,5-dihydroxyoxan-3-yl]oxidanesulfonic acid (CHEBI:187271) is a flavonoids (CHEBI:72544)
IUPAC Name
[2-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-4,5-dihydroxyoxan-3-yl] hydrogen sulate
Manual Xref Database
HMDB0127265 HMDB
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