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CHEBI:29525 - Avermectin A1b

ChEBI IDCHEBI:29525
ChEBI NameAvermectin A1b
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC48H72O14
Net Charge0
Average Mass873.090
Monoisotopic Mass872.49221
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)C)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1OC)[C@]32O
InChIInChI=1S/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47+,48+/m0/s1
InChIKeyMNRHCELBXZARFX-OVBDMLLUSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin A1b (CHEBI:29525) is a glycoside (CHEBI:24400)
Synonym  Source
Avermectin A1bKEGG COMPOUND
Manual XrefsDatabases
C11968KEGG COMPOUND
Registry NumbersSources
CAS:65195-52-0KEGG COMPOUND