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CHEBI:196885 - (+)-Pinoresinol 4-O-[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside]

ChEBI IDCHEBI:196885
ChEBI Name(+)-Pinoresinol 4-O-[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H52O21
Net Charge0
Average Mass844.813
Monoisotopic Mass844.30011
SMILESCOc1cc(C2OCC3C(c4ccc(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O
WURCSWURCS=2.0/2,3,2/[axxxxh-1x_1-5_1*O(CCCCCC$3/6)C^XC^XC^XC^X(CCCCCC$13/16)O(/15)OC/12OC$10/11CO$9(/4)OC][axxxxh-1x_1-5]/1-2-2/a2-b1_a6-c1
InChIInChI=1S/C38H52O21/c1-50-20-7-14(3-5-18(20)41)33-16-11-53-34(17(16)12-52-33)15-4-6-19(21(8-15)51-2)55-38-35(59-37-32(49)29(46)26(43)23(10-40)57-37)30(47)27(44)24(58-38)13-54-36-31(48)28(45)25(42)22(9-39)56-36/h3-8,16-17,22-49H,9-13H2,1-2H3
InChIKeyVICAQHYHEATZHF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-Pinoresinol 4-O-[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside] (CHEBI:196885) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
2-[[3,4-dihydroxy-6-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]-2-methoxyphenoxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
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