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CHEBI:177950 - Isolariciresinol 9-O-beta-D-glucoside

ChEBI IDCHEBI:177950
ChEBI NameIsolariciresinol 9-O-beta-D-glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O11
Net Charge0
Average Mass522.547
Monoisotopic Mass522.21011
SMILESCOc1cc(C2c3cc(O)c(OC)cc3CC(COC3OC(CO)C(O)C(O)C3O)C2CO)ccc1O
InChIInChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3
InChIKeyBUQQDANPHQFSEK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
Isolariciresinol 9-O-beta-D-glucoside (CHEBI:177950) is a glycoside (CHEBI:24400)
Isolariciresinol 9-O-beta-D-glucoside (CHEBI:177950) is a lignan (CHEBI:25036)
IUPAC Name 
2-[[6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0032907HMDB