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CHEBI:191562 - (8S,8'S)-Secoisolariciresinol 9-xyloside

ChEBI IDCHEBI:191562
ChEBI Name(8S,8'S)-Secoisolariciresinol 9-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O10
Net Charge0
Average Mass494.537
Monoisotopic Mass494.21520
SMILESCOc1cc(CC(CO)C(COC2OCC(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C25H34O10/c1-32-21-9-14(3-5-18(21)27)7-16(11-26)17(8-15-4-6-19(28)22(10-15)33-2)12-34-25-24(31)23(30)20(29)13-35-25/h3-6,9-10,16-17,20,23-31H,7-8,11-13H2,1-2H3
InChIKeyKAXGCKCCFQIHTO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
(8S,8'S)-Secoisolariciresinol 9-xyloside (CHEBI:191562) is a glycoside (CHEBI:24400)
(8S,8'S)-Secoisolariciresinol 9-xyloside (CHEBI:191562) is a lignan (CHEBI:25036)
IUPAC Name 
2-[4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0037084HMDB