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CHEBI:29539 - Avermectin B1b monosaccharide

ChEBI IDCHEBI:29539
ChEBI NameAvermectin B1b monosaccharide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H58O11
Net Charge0
Average Mass714.893
Monoisotopic Mass714.39791
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[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1O)[C@]32O
InChIInChI=1S/C40H58O11/c1-21(2)35-24(5)14-15-39(51-35)19-29-17-28(50-39)13-12-23(4)36(49-32-18-31(45-8)34(42)26(7)47-32)22(3)10-9-11-27-20-46-37-33(41)25(6)16-30(38(43)48-29)40(27,37)44/h9-12,14-16,21-22,24,26,28-37,41-42,44H,13,17-20H2,1-8H3/b10-9+,23-12+,27-11+/t22-,24-,26-,28+,29-,30-,31-,32-,33+,34-,35+,36-,37+,39+,40+/m0/s1
InChIKeyNJTGMYOUKBELLQ-SVNGNTECSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin B1b monosaccharide (CHEBI:29539) is a glycoside (CHEBI:24400)
Synonym  Source
Avermectin B1b monosaccharideKEGG COMPOUND
Manual XrefsDatabases
C11965KEGG COMPOUND