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CHEBI:29545 - Avermectin B2b monosaccharide

ChEBI IDCHEBI:29545
ChEBI NameAvermectin B2b monosaccharide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H60O12
Net Charge0
Average Mass732.908
Monoisotopic Mass732.40848
SMILES[H][C@@]12OC/C3=C\C=C\[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1O)[C@]32O
InChIInChI=1S/C40H60O12/c1-20(2)35-24(6)30(41)18-39(52-35)17-28-15-27(51-39)13-12-22(4)36(50-32-16-31(46-8)34(43)25(7)48-32)21(3)10-9-11-26-19-47-37-33(42)23(5)14-29(38(44)49-28)40(26,37)45/h9-12,14,20-21,24-25,27-37,41-43,45H,13,15-19H2,1-8H3/b10-9+,22-12+,26-11+/t21-,24-,25-,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37+,39-,40+/m0/s1
InChIKeyYIPLIYLHPUXRMG-XUSSLDSFSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin B2b monosaccharide (CHEBI:29545) is a glycoside (CHEBI:24400)
Synonym  Source
Avermectin B2b monosaccharideKEGG COMPOUND
Manual XrefsDatabases
C11957KEGG COMPOUND