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CHEBI:201396 - Milbemycin oxime

ChEBI IDCHEBI:201396
ChEBI NameMilbemycin oxime
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H43NO7.C32H45NO7
Net Charge0
Average Mass1097.397
Monoisotopic Mass1096.62356
SMILESCC1=CCC2CC(CC3(CCC(C)C(C)O3)O2)OC(=O)C2C=C(C)C(=NO)C3OCC(=CC=CC(C)C1)C23O.CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(=NO)C(C)=CC(C(=O)O1)C34O)O2
InChIInChI=1S/C32H45NO7.C31H43NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35;1-18-7-6-8-23-17-36-28-27(32-35)21(4)14-26(31(23,28)34)29(33)37-25-15-24(10-9-19(2)13-18)39-30(16-25)12-11-20(3)22(5)38-30/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3;6-9,14,18,20,22,24-26,28,34-35H,10-13,15-17H2,1-5H3
InChIKeyCKVMAPHTVCTEMM-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin oxime (CHEBI:201396) is a milbemycin (CHEBI:50345)
IUPAC Name 
6'-ethyl-24-hydroxy-21-hydroxyimino-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;24-hydroxy-21-hydroxyimino-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one