EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188971 - Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside

ChEBI IDCHEBI:188971
ChEBI NameSesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H48O22
Net Charge0
Average Mass856.780
Monoisotopic Mass856.26372
SMILESOCC1OC(OCC2OC(Oc3cc4c(cc3C3OCC5C(c6ccc7c(c6)OCO7)OCC35)OCO4)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
WURCSWURCS=2.0/2,3,2/[axxxxh-1x_1-5_1*O(CCCCCC$3/7)OCO($6/4)C^XC^XC^XC^X(CCCCCC$16/19)OCO($18)/15OC$13/14CO$12][axxxxh-1x_1-5]/1-2-2/a2-b1_a6-c1
InChIInChI=1S/C38H48O22/c39-6-22-25(41)28(44)31(47)36(57-22)51-10-24-27(43)30(46)35(60-37-32(48)29(45)26(42)23(7-40)58-37)38(59-24)56-18-5-21-20(54-12-55-21)4-14(18)34-16-9-49-33(15(16)8-50-34)13-1-2-17-19(3-13)53-11-52-17/h1-5,15-16,22-48H,6-12H2
InChIKeyIJZGFTCXUSMUHI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus Aureus (ncbitaxon:1280) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3859)
ChEBI Ontology
Outgoing Relation(s)
Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside (CHEBI:188971) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
2-[[6-[[6-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]-1,3-benzodioxol-5-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0041211HMDB