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CHEBI:210795 - Cytosporaquinone C

ChEBI IDCHEBI:210795
ChEBI NameCytosporaquinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O7
Net Charge0
Average Mass408.406
Monoisotopic Mass408.12090
SMILESCC(C)=CCOc1ccc(C2=C(O)C(=O)C(c3ccc(O)c(O)c3)=C(O)C2=O)cc1
InChIInChI=1S/C23H20O7/c1-12(2)9-10-30-15-6-3-13(4-7-15)18-20(26)22(28)19(23(29)21(18)27)14-5-8-16(24)17(25)11-14/h3-9,11,24-26,29H,10H2,1-2H3
InChIKeyNRPRMMJVELYVJP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cytospora (ncbitaxon:117544) - PubMed (30807789)
ChEBI Ontology
Outgoing Relation(s)
Cytosporaquinone C (CHEBI:210795) is a catechols (CHEBI:33566)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-5-[4-(3-methylbut-2-enoxy)phenyl]cyclohexa-2,5-diene-1,4-dione