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CHEBI:177989 - Isolariciresinol 4'-O-beta-D-glucoside

ChEBI IDCHEBI:177989
ChEBI NameIsolariciresinol 4'-O-beta-D-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O11
Net Charge0
Average Mass522.547
Monoisotopic Mass522.21011
SMILESCOc1cc2c(cc1O)C(c1ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c1)C(CO)C(CO)C2
InChIInChI=1S/C26H34O11/c1-34-19-7-13-5-14(9-27)16(10-28)22(15(13)8-17(19)30)12-3-4-18(20(6-12)35-2)36-26-25(33)24(32)23(31)21(11-29)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3
InChIKeyLLUBKLPJYIQJPI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) MetaboLights (MTBLS3247)
ChEBI Ontology
Outgoing Relation(s)
Isolariciresinol 4'-O-beta-D-glucoside (CHEBI:177989) is a glycoside (CHEBI:24400)
Isolariciresinol 4'-O-beta-D-glucoside (CHEBI:177989) is a lignan (CHEBI:25036)
IUPAC Name 
2-[4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0040471HMDB