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CHEBI:228899 - Pinoresinol diglucoside

ChEBI IDCHEBI:228899
ChEBI NamePinoresinol diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O16
Net Charge0
Average Mass682.672
Monoisotopic Mass682.24729
SMILES[H][C@]12CO[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@]1([H])CO[C@@H]2c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
InChIInChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
InChIKeyZJSJQWDXAYNLNS-FUPWJLLWSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Pinoresinol diglucoside (CHEBI:228899) is a glycoside (CHEBI:24400)
Pinoresinol diglucoside (CHEBI:228899) is a lignan (CHEBI:25036)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-6-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
151834ChemSpider