EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225209 - Sinapiquinone

ChEBI IDCHEBI:225209
ChEBI NameSinapiquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H24O10
Net Charge0
Average Mass580.545
Monoisotopic Mass580.13695
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C=C(C)C(=O)C3=O
InChIInChI=1S/C33H24O10/c1-12-6-17-23(19(34)7-12)30(37)26-18(29(17)36)11-21(43-5)27(32(26)39)22-15-8-13(2)28(35)33(40)25(15)31(38)24-16(22)9-14(41-3)10-20(24)42-4/h6-11,34,38-39H,1-5H3
InChIKeyVKPISDBLFKLCMY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cortinarius sinapicolor (ncbitaxon:112256) - DOI (10.1071/ch99079)
ChEBI Ontology
Outgoing Relation(s)
Sinapiquinone (CHEBI:225209) is a lignan (CHEBI:25036)
IUPAC Name 
1,8-dihydroxy-2-(10-hydroxy-5,7-dimethoxy-2-methyl-3,4-dioxoanthracen-9-yl)-3-methoxy-6-methylanthracene-9,10-dione
Manual XrefsDatabases
78435487ChemSpider