EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:81269 - Magnoloside B

ChEBI IDCHEBI:81269
ChEBI NameMagnoloside B
Stars
DownloadsMolfile
FormulaC35H46O20
Net Charge0
Average Mass786.733
Monoisotopic Mass786.25824
SMILESCC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O
WURCSWURCS=2.0/3,3,2/[axxxxh-1x_1-5_1*OCC(CCCCCC$5/8)O(/7)O_3*OCC=^EC(CCCCCC$6/9)O(/8)O/3=O][axxxxm-1x_1-5][axxxxh-1x_1-5]/1-2-3/a2-b1_a6-c1
InChIInChI=1S/C35H46O20/c1-14-24(42)27(45)30(48)34(51-14)55-32-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)26(44)22(13-50-33-29(47)28(46)25(43)21(12-36)52-33)53-35(32)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+
InChIKeyMGCIVWNKCIWQHX-QPJJXVBHSA-N
ChEBI Ontology
Outgoing Relation(s)
Magnoloside B (CHEBI:81269) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
C17679KEGG COMPOUND