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CHEBI:171720 - 8-Hydroxypinoresinol 8-glucoside

ChEBI IDCHEBI:171720
ChEBI Name8-Hydroxypinoresinol 8-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O12
Net Charge0
Average Mass536.530
Monoisotopic Mass536.18938
SMILESCOc1cc(C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(c4ccc(O)c(OC)c4)OCC23)ccc1O
InChIInChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(13-4-6-16(29)18(8-13)34-2)26(14,11-36-23)38-25-22(32)21(31)20(30)19(9-27)37-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3
InChIKeyDRAPQDCEBKBPQE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
8-Hydroxypinoresinol 8-glucoside (CHEBI:171720) is a glycoside (CHEBI:24400)
8-Hydroxypinoresinol 8-glucoside (CHEBI:171720) is a lignan (CHEBI:25036)
IUPAC Name 
2-[[3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
22370151ChemSpider
HMDB0033281HMDB