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CHEBI:229870 - 3-(5-hydroxy-8,8-dimethyl-2-oxo-2h,8h-pyrano[2,3-f]chromen-4-yl)phenyl hydrogen sulfate

ChEBI IDCHEBI:229870
ChEBI Name3-(5-hydroxy-8,8-dimethyl-2-oxo-2h,8h-pyrano[2,3-f]chromen-4-yl)phenyl hydrogen sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O8S
Net Charge0
Average Mass416.407
Monoisotopic Mass416.05659
SMILESCC1(C)C=Cc2c(cc(O)c3c(-c4cccc(OS(=O)(=O)O)c4)cc(=O)oc23)O1
InChIInChI=1S/C20H16O8S/c1-20(2)7-6-13-16(27-20)10-15(21)18-14(9-17(22)26-19(13)18)11-4-3-5-12(8-11)28-29(23,24)25/h3-10,21H,1-2H3,(H,23,24,25)
InChIKeyKIWUTRWIRYHSHJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
3-(5-hydroxy-8,8-dimethyl-2-oxo-2h,8h-pyrano[2,3-f]chromen-4-yl)phenyl hydrogen sulfate (CHEBI:229870) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
[3-(5-hydroxy-8,8-dimethyl-2-oxopyrano[2,3-h]chromen-4-yl)phenyl] hydrogen sulate
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74851877ChemSpider