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CHEBI:138814 - 5-Oxoavermectin "1a" aglycone

ChEBI IDCHEBI:138814
ChEBI Name5-Oxoavermectin "1a" aglycone
Stars
Last Modified25 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC34H46O8
Net Charge0
Average Mass582.734
Monoisotopic Mass582.31927
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)C1=O)[C@]32O
InChIInChI=1S/C34H46O8/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/h8-11,13-15,19-20,22,25-28,30-31,35,38H,7,12,16-18H2,1-6H3/b9-8+,21-11+,24-10+/t19?,20-,22-,25+,26-,27-,28-,30+,31+,33+,34+/m0/s1
InChIKeyZSPNNRIPLTXTIF-ZJHNFQRCSA-N
ChEBI Ontology
Outgoing Relation(s)
5-Oxoavermectin "1a" aglycone (CHEBI:138814) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
C11978KEGG COMPOUND