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CHEBI:198333 - VM-44865

ChEBI IDCHEBI:198333
ChEBI NameVM-44865
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O10
Net Charge0
Average Mass696.878
Monoisotopic Mass696.38735
SMILESCC=C(C)C(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4CO[C@H]([C@@H]1OC)[C@@]42O)O[C@@]1(C3)O[C@H](C(C)=CC)[C@@H](C)C[C@H]1O
InChIInChI=1S/C40H56O10/c1-9-25(5)34-27(7)17-33(41)39(50-34)20-31-19-30(49-39)15-14-24(4)16-23(3)12-11-13-29-22-46-36-35(45-8)28(21-47-37(42)26(6)10-2)18-32(38(43)48-31)40(29,36)44/h9-14,18,23,27,30-36,41,44H,15-17,19-22H2,1-8H3/t23-,27-,30+,31-,32-,33+,34+,35+,36+,39-,40+/m0/s1
InChIKeyNSZTYARPRNHEHV-PRIVIORNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2584143)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
VM-44865 (CHEBI:198333) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,3'R,4S,5'S,6S,6'S,8R,13R,20R,21R,24S)-6'-but-2-en-2-yl-3',24-dihydroxy-21-methoxy-5',11,13-trimethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl 2-methylbut-2-enoate