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CHEBI:225505 - Coccoquinone A

ChEBI IDCHEBI:225505
ChEBI NameCoccoquinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O9
Net Charge0
Average Mass428.393
Monoisotopic Mass428.11073
SMILESCC(=O)CC[C@@H](COC(C)=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C22H20O9/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/h5-7,11,25-27,29H,3-4,8H2,1-2H3/t11-/m0/s1
InChIKeyOPWPUUVQTUNWPD-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Staphylotrichum (ncbitaxon:370954) - PubMed (26464010)
ChEBI Ontology
Outgoing Relation(s)
Coccoquinone A (CHEBI:225505) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
[5-oxo-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)hexyl] acetate
Manual XrefsDatabases
78435171ChemSpider