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CHEBI:81270 - Magnoloside C

ChEBI IDCHEBI:81270
ChEBI NameMagnoloside C
Stars
DownloadsMolfile
FormulaC41H56O25
Net Charge0
Average Mass948.874
Monoisotopic Mass948.31107
SMILESCC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O
WURCSWURCS=2.0/3,4,3/[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]/1-2-3-3/a2-b1_a6-c1_c4-d1
InChIInChI=1S/C41H56O25/c1-15-26(49)29(52)32(55)39(60-15)66-37-36(64-25(48)7-4-16-2-5-18(44)20(46)10-16)28(51)24(63-41(37)58-9-8-17-3-6-19(45)21(47)11-17)14-59-38-34(57)31(54)35(23(13-43)62-38)65-40-33(56)30(53)27(50)22(12-42)61-40/h2-7,10-11,15,22-24,26-47,49-57H,8-9,12-14H2,1H3/b7-4+
InChIKeyGICILYIKUQJYMI-QPJJXVBHSA-N
ChEBI Ontology
Outgoing Relation(s)
Magnoloside C (CHEBI:81270) is a oligosaccharide (CHEBI:50699)
Manual XrefsDatabases
C17680KEGG COMPOUND