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CHEBI:29523 - Avermectin A1a aglycone

ChEBI IDCHEBI:29523
ChEBI NameAvermectin A1a aglycone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H50O8
Net Charge0
Average Mass598.777
Monoisotopic Mass598.35057
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[C@H](C)[C@@H](C(C)CC)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1OC)[C@]32O
InChIInChI=1S/C35H50O8/c1-8-20(2)30-23(5)14-15-34(43-30)18-27-17-26(42-34)13-12-22(4)29(36)21(3)10-9-11-25-19-40-32-31(39-7)24(6)16-28(33(37)41-27)35(25,32)38/h9-12,14-16,20-21,23,26-32,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12+,25-11+/t20?,21-,23-,26+,27-,28-,29-,30+,31+,32+,34+,35+/m0/s1
InChIKeyFZZBQPABSWVSND-UBDJLKLUSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin A1a aglycone (CHEBI:29523) is a pyrans (CHEBI:26407)
Synonym  Source
Avermectin A1a aglyconeKEGG COMPOUND
Manual XrefsDatabases
C11980KEGG COMPOUND