EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191572 - Cubebininolide

ChEBI IDCHEBI:191572
ChEBI NameCubebininolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O8
Net Charge0
Average Mass446.496
Monoisotopic Mass446.19407
SMILESCOc1cc(CC2COC(=O)C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3
InChIKeyVUNCHONBJWJYID-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Cubebininolide (CHEBI:191572) is a lignan (CHEBI:25036)
IUPAC Name 
3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Manual XrefsDatabases
HMDB0032728HMDB
8156597ChemSpider