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CHEBI:191799 - 8-Acetoxypinoresinol 4-glucoside

ChEBI IDCHEBI:191799
ChEBI Name8-Acetoxypinoresinol 4-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O13
Net Charge0
Average Mass578.567
Monoisotopic Mass578.19994
SMILESCOc1cc(C2OCC3(OC(C)=O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O
InChIInChI=1S/C28H34O13/c1-13(30)41-28-12-38-25(14-4-6-17(31)19(8-14)35-2)16(28)11-37-26(28)15-5-7-18(20(9-15)36-3)39-27-24(34)23(33)22(32)21(10-29)40-27/h4-9,16,21-27,29,31-34H,10-12H2,1-3H3
InChIKeyARPKCZZZMDEOIF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
8-Acetoxypinoresinol 4-glucoside (CHEBI:191799) is a glycoside (CHEBI:24400)
8-Acetoxypinoresinol 4-glucoside (CHEBI:191799) is a lignan (CHEBI:25036)
IUPAC Name 
[6-(4-hydroxy-3-methoxyphenyl)-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
HMDB0033283HMDB