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CHEBI:199409 - VM48130

ChEBI IDCHEBI:199409
ChEBI NameVM48130
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54O10
Net Charge0
Average Mass670.840
Monoisotopic Mass670.37170
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(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1C
InChIInChI=1S/C38H54O10/c1-9-23(6)31-25(8)32(46-35(41)20(2)3)33(40)37(48-31)18-28-17-27(47-37)14-13-22(5)15-21(4)11-10-12-26-19-44-34-30(39)24(7)16-29(36(42)45-28)38(26,34)43/h9-13,16,20-21,25,27-34,39-40,43H,14-15,17-19H2,1-8H3/b11-10+,22-13+,23-9+,26-12-/t21-,25+,27+,28-,29-,30+,31+,32-,33+,34?,37-,38+/m0/s1
InChIKeyBRUOADCBAUEUIC-XANIGENQSA-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)
VM48130 (CHEBI:199409) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,3'R,4S,4'S,5'R,6S,6'S,8R,10E,13R,14E,16E,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylpropanoate
Manual XrefsDatabases
78436501ChemSpider