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CHEBI:191784 - Cubebinone

ChEBI IDCHEBI:191784
ChEBI NameCubebinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O8
Net Charge0
Average Mass430.453
Monoisotopic Mass430.16277
SMILESCOc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1OC
InChIInChI=1S/C23H26O8/c1-25-17-7-13(8-18(26-2)21(17)28-4)5-15-11-29-23(24)16(15)6-14-9-19(27-3)22-20(10-14)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyBFDODNWEBMWJIS-JKSUJKDBSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Cubebinone (CHEBI:191784) is a lignan (CHEBI:25036)
IUPAC Name 
(3R,4R)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Manual XrefsDatabases
103881496ChemSpider