EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229108 - Eerectquione B

ChEBI IDCHEBI:229108
ChEBI NameEerectquione B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O6
Net Charge0
Average Mass484.633
Monoisotopic Mass484.28249
SMILESCC(C)=CCC/C(C)=C/CC1=C(OC(=O)C(C)C)C(=O)C(OC(=O)C(C)C)=C(CC=C(C)C)C1=O
InChIInChI=1S/C29H40O6/c1-17(2)11-10-12-21(9)14-16-23-24(30)22(15-13-18(3)4)26(34-28(32)19(5)6)25(31)27(23)35-29(33)20(7)8/h11,13-14,19-20H,10,12,15-16H2,1-9H3/b21-14+
InChIKeyLLCTZEXRKYOVJM-KGENOOAVSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Eerectquione B (CHEBI:229108) is a prenylquinone (CHEBI:26255)
IUPAC Name 
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-(3-methylbut-2-enyl)-5-(2-methylpropanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylpropanoate
Manual XrefsDatabases
4475950ChemSpider