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CHEBI:201779 - Nemadectin

ChEBI IDCHEBI:201779
ChEBI NameNemadectin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O8
Net Charge0
Average Mass612.804
Monoisotopic Mass612.36622
SMILESCC1=CCC2CC(CC3(CC(O)C(C)C(C(C)=CC(C)C)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1)C23O
InChIInChI=1S/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3
InChIKeyYNFMRVVYUVPIAN-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Nemadectin (CHEBI:201779) is a milbemycin (CHEBI:50345)
IUPAC Name 
(6R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one