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CHEBI:167988 - 8-Acetoxy-4'-methoxypinoresinol 4-glucoside

ChEBI IDCHEBI:167988
ChEBI Name8-Acetoxy-4'-methoxypinoresinol 4-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O13
Net Charge0
Average Mass592.594
Monoisotopic Mass592.21559
SMILESCOc1ccc(C2OCC3(OC(C)=O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc1OC
InChIInChI=1S/C29H36O13/c1-14(31)42-29-13-39-26(15-5-7-18(35-2)20(9-15)36-3)17(29)12-38-27(29)16-6-8-19(21(10-16)37-4)40-28-25(34)24(33)23(32)22(11-30)41-28/h5-10,17,22-28,30,32-34H,11-13H2,1-4H3
InChIKeyZKCRENDTQNGLGO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
8-Acetoxy-4'-methoxypinoresinol 4-glucoside (CHEBI:167988) is a glycoside (CHEBI:24400)
8-Acetoxy-4'-methoxypinoresinol 4-glucoside (CHEBI:167988) is a lignan (CHEBI:25036)
IUPAC Name 
[6-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl] acetate
Manual XrefsDatabases
HMDB0033278HMDB