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CHEBI:215550 - VM48633

ChEBI IDCHEBI:215550
ChEBI NameVM48633
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H54O10
Net Charge0
Average Mass682.851
Monoisotopic Mass682.37170
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)C=C(C)C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C
InChIInChI=1S/C39H54O10/c1-8-25(6)35-26(7)16-32(40)38(49-35)19-30-18-29(48-38)13-12-24(5)15-23(4)10-9-11-28-21-46-36-34(42)27(20-45-33(41)14-22(2)3)17-31(37(43)47-30)39(28,36)44/h8-12,14,17,23,26,29-32,34-36,40,42,44H,13,15-16,18-21H2,1-7H3/b10-9+,24-12+,25-8+,28-11-/t23-,26-,29+,30-,31-,32+,34+,35+,36?,38-,39+/m0/s1
InChIKeyVULLGPMVPDMZOX-XJKBVJSBSA-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)
VM48633 (CHEBI:215550) 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 3-methylbut-2-enoate
Manual XrefsDatabases
8434520ChemSpider