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CHEBI:172658 - 8-Acetoxypinoresinol

Default Structure
ChEBI IDCHEBI:172658
ChEBI Name8-Acetoxypinoresinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESCOc1cc(C2OCC3(OC(C)=O)C(c4ccc(O)c(OC)c4)OCC23)ccc1O
InChIInChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3
InChIKeyNATDFORNCKZPCI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
8-Acetoxypinoresinol (CHEBI:172658) is a lignan (CHEBI:25036)
IUPAC Name 
[3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl] acetate
Manual XrefsDatabases
3682955ChemSpider
HMDB0033280HMDB