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CHEBI:29535 - Avermectin B1a aglycone

ChEBI IDCHEBI:29535
ChEBI NameAvermectin B1a aglycone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H48O8
Net Charge0
Average Mass584.750
Monoisotopic Mass584.33492
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]1O)[C@]32O
InChIInChI=1S/C34H48O8/c1-7-19(2)30-22(5)13-14-33(42-30)17-26-16-25(41-33)12-11-21(4)28(35)20(3)9-8-10-24-18-39-31-29(36)23(6)15-27(32(37)40-26)34(24,31)38/h8-11,13-15,19-20,22,25-31,35-36,38H,7,12,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19?,20-,22-,25+,26-,27-,28-,29+,30+,31+,33+,34+/m0/s1
InChIKeyXLEUIYGDSWMLCR-NIDSZCIBSA-N
ChEBI Ontology
Outgoing Relation(s)
Avermectin B1a aglycone (CHEBI:29535) is a pyrans (CHEBI:26407)
Synonym  Source
Avermectin B1a aglyconeKEGG COMPOUND
Manual XrefsDatabases
C11979KEGG COMPOUND