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CHEBI:225512 - Coccoquinone B

ChEBI IDCHEBI:225512
ChEBI NameCoccoquinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O9
Net Charge0
Average Mass430.409
Monoisotopic Mass430.12638
SMILESCC(=O)OCC(CCC(C)O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C22H22O9/c1-9(23)3-4-11(8-31-10(2)24)17-16(27)7-14-19(21(17)29)22(30)18-13(20(14)28)5-12(25)6-15(18)26/h5-7,9,11,23,25-27,29H,3-4,8H2,1-2H3
InChIKeyWIRVPOIVYVCROY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylotrichum (ncbitaxon:370954) - PubMed (26464010)
ChEBI Ontology
Outgoing Relation(s)
Coccoquinone B (CHEBI:225512) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
[5-hydroxy-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexyl] acetate
Manual XrefsDatabases
78435172ChemSpider