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CHEBI:29529 - Avermectin A2a aglycone

ChEBI IDCHEBI:29529
ChEBI NameAvermectin A2a aglycone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H52O9
Net Charge0
Average Mass616.792
Monoisotopic Mass616.36113
SMILES[H][C@@]12OC/C3=C\C=C\[C@H](C)[C@H](O)/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H](C(C)CC)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1OC)[C@]32O
InChIInChI=1S/C35H52O9/c1-8-19(2)30-23(6)28(36)17-34(44-30)16-26-15-25(43-34)13-12-21(4)29(37)20(3)10-9-11-24-18-41-32-31(40-7)22(5)14-27(33(38)42-26)35(24,32)39/h9-12,14,19-20,23,25-32,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12+,24-11+/t19?,20-,23-,25+,26-,27-,28-,29-,30+,31+,32+,34-,35+/m0/s1
InChIKeyLYBOOCMZYUURMK-IYDKXMBSSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin A2a aglycone (CHEBI:29529) is a oxanes (CHEBI:46942)
Synonym  Source
Avermectin A2a aglyconeKEGG COMPOUND
Manual XrefsDatabases
C11972KEGG COMPOUND