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CHEBI:29544 - Avermectin B2b aglycone

ChEBI IDCHEBI:29544
ChEBI NameAvermectin B2b aglycone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H48O9
Net Charge0
Average Mass588.738
Monoisotopic Mass588.32983
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)C)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1O)[C@]32O
InChIInChI=1S/C33H48O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-30,34-36,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26-,27-,28+,29+,30+,32-,33+/m0/s1
InChIKeyCZMBJLNTFCNLGQ-QJEXIZKGSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin B2b aglycone (CHEBI:29544) is a oxanes (CHEBI:46942)
Synonym  Source
Avermectin B2b aglyconeKEGG COMPOUND
Manual XrefsDatabases
C11955KEGG COMPOUND