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CHEBI:210789 - Cytosporaquinone B

Default Structure
ChEBI IDCHEBI:210789
ChEBI NameCytosporaquinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O8
Net Charge0
Average Mass424.405
Monoisotopic Mass424.11582
SMILESCC(C)=CCOc1ccc(C2=C(O)C(=O)C(c3cc(O)c(O)c(O)c3)=C(O)C2=O)cc1
InChIInChI=1S/C23H20O8/c1-11(2)7-8-31-14-5-3-12(4-6-14)17-20(27)22(29)18(23(30)21(17)28)13-9-15(24)19(26)16(25)10-13/h3-7,9-10,24-27,30H,8H2,1-2H3
InChIKeyOIZWLMCXWKTMRU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (30807789)
ChEBI Ontology
Outgoing Relation(s)
Cytosporaquinone B (CHEBI:210789) is a benzenetriol (CHEBI:22707)
IUPAC Name 
2,5-dihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-6-(3,4,5-trihydroxyphenyl)cyclohexa-2,5-diene-1,4-dione