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CHEBI:185308 - (3-{8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-3-yl}-2-hydroxy-6-methoxyphenyl)oxidanesulfonic acid

ChEBI IDCHEBI:185308
ChEBI Name(3-{8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-3-yl}-2-hydroxy-6-methoxyphenyl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O9S
Net Charge0
Average Mass446.433
Monoisotopic Mass446.06715
SMILESCOc1ccc(-c2cc3ccc4c(c3oc2=O)C=CC(C)(C)O4)c(O)c1OS(=O)(=O)O
InChIInChI=1S/C21H18O9S/c1-21(2)9-8-13-15(29-21)6-4-11-10-14(20(23)28-18(11)13)12-5-7-16(27-3)19(17(12)22)30-31(24,25)26/h4-10,22H,1-3H3,(H,24,25,26)
InChIKeyBRWSZAMLRHCZHO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
(3-{8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-3-yl}-2-hydroxy-6-methoxyphenyl)oxidanesulfonic acid (CHEBI:185308) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
[3-(8,8-dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-2-hydroxy-6-methoxyphenyl] hydrogen sulate
Manual XrefsDatabases
74853935ChemSpider
HMDB0135728HMDB