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CHEBI:29522 - Avermectin A1a

ChEBI IDCHEBI:29522
ChEBI NameAvermectin A1a
Stars
Last Modified29 July 2014
DownloadsMolfile
FormulaC49H74O14
Net Charge0
Average Mass887.117
Monoisotopic Mass886.50786
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]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[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)CC)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1OC)[C@]32O
InChIInChI=1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26?,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48+,49+/m0/s1
InChIKeyAFSHKCWTGFDXJR-BWFQMGBFSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin A1a (CHEBI:29522) is a glycoside (CHEBI:24400)
Synonym  Source
Avermectin A1aKEGG COMPOUND
Manual XrefsDatabases
C11984KEGG COMPOUND
Registry NumbersSources
CAS:65195-51-9KEGG COMPOUND