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CHEBI:212803 - VM48642

ChEBI IDCHEBI:212803
ChEBI NameVM48642
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O11
Net Charge0
Average Mass708.845
Monoisotopic Mass708.35096
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\COC5[C@H](O)C(COC(=O)Cc6ccoc6)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C
InChIInChI=1S/C40H52O11/c1-6-25(4)36-26(5)15-33(41)39(51-36)19-31-18-30(50-39)11-10-24(3)14-23(2)8-7-9-29-22-48-37-35(43)28(17-32(38(44)49-31)40(29,37)45)21-47-34(42)16-27-12-13-46-20-27/h6-10,12-13,17,20,23,26,30-33,35-37,41,43,45H,11,14-16,18-19,21-22H2,1-5H3/b8-7+,24-10+,25-6+,29-9-/t23-,26-,30+,31-,32-,33+,35+,36+,37?,39-,40+/m0/s1
InChIKeyMMJZBNMYLYMZNZ-HYSBISJLSA-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)
VM48642 (CHEBI:212803) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,3'R,4S,5'S,6S,6'S,8R,10E,13R,14E,16E,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-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-(uran-3-yl)acetate
Manual XrefsDatabases
78437478ChemSpider