EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216600 - (+)-gancochlearol C

ChEBI IDCHEBI:216600
ChEBI Name(+)-gancochlearol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H50O7
Net Charge0
Average Mass666.855
Monoisotopic Mass666.35565
SMILESCC(C)=CCCC(C)=CCCC1=C[C@](c2cc(O)ccc2O)(c2oc(-c3cc(O)ccc3O)cc2CCC=C(C)CCC=C(C)C)OC1=O
InChIInChI=1S/C42H50O7/c1-27(2)11-7-13-29(5)15-9-17-31-23-39(35-24-33(43)19-21-37(35)45)48-40(31)42(36-25-34(44)20-22-38(36)46)26-32(41(47)49-42)18-10-16-30(6)14-8-12-28(3)4/h11-12,15-16,19-26,43-46H,7-10,13-14,17-18H2,1-6H3/t42-/m0/s1
InChIKeyOPLJGFXQJUOYGT-WBCKFURZSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (30037018)
ChEBI Ontology
Outgoing Relation(s)
(+)-gancochlearol C (CHEBI:216600) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5S)-5-(2,5-dihydroxyphenyl)-5-[5-(2,5-dihydroxyphenyl)-3-(4,8-dimethylnona-3,7-dienyl)uran-2-yl]-3-(4,8-dimethylnona-3,7-dienyl)uran-2-one