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CHEBI:198672 - VM-44866

ChEBI IDCHEBI:198672
ChEBI NameVM-44866
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50O8
Net Charge0
Average Mass598.777
Monoisotopic Mass598.35057
SMILESC/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\C(C)OC5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C
InChIInChI=1S/C35H50O8/c1-8-21(4)31-23(6)16-29(36)34(43-31)18-26-17-25(42-34)13-12-20(3)14-19(2)10-9-11-27-24(7)40-32-30(37)22(5)15-28(33(38)41-26)35(27,32)39/h8-12,15,19,23-26,28-32,36-37,39H,13-14,16-18H2,1-7H3/b10-9-,20-12-,21-8+,27-11-/t19-,23-,24?,25+,26-,28-,29+,30+,31+,32?,34-,35+/m0/s1
InChIKeyYZNJQLHGKDZIAI-XKJWSQHYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8626244)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
VM-44866 (CHEBI:198672) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,3'R,4S,5'S,6S,6'S,8R,10Z,13R,14Z,16Z,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-5',11,13,18,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual XrefsDatabases
78436389ChemSpider