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CHEBI:172801 - Secoisolariciresinol 9,9'-diglucoside

ChEBI IDCHEBI:172801
ChEBI NameSecoisolariciresinol 9,9'-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O16
Net Charge0
Average Mass686.704
Monoisotopic Mass686.27859
SMILESCOc1cc(CC(COC2OC(CO)C(O)C(O)C2O)C(COC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3
InChIKeySBVBJPHMDABKJV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Secoisolariciresinol 9,9'-diglucoside (CHEBI:172801) is a glycoside (CHEBI:24400)
Secoisolariciresinol 9,9'-diglucoside (CHEBI:172801) is a lignan (CHEBI:25036)
IUPAC Name 
2-[2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0036323HMDB
28574356ChemSpider