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CHEBI:199617 - VM48641

ChEBI IDCHEBI:199617
ChEBI NameVM48641
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O9
Net Charge0
Average Mass628.803
Monoisotopic Mass628.36113
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(OC)OC5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C
InChIInChI=1S/C36H52O9/c1-9-22(4)30-24(6)17-29(37)35(45-30)19-26-18-25(44-35)14-13-21(3)15-20(2)11-10-12-27-34(41-8)43-32-31(40-7)23(5)16-28(33(38)42-26)36(27,32)39/h9-13,16,20,24-26,28-32,34,37,39H,14-15,17-19H2,1-8H3/b11-10+,21-13+,22-9+,27-12-/t20-,24-,25+,26-,28-,29+,30+,31+,32?,34?,35-,36+/m0/s1
InChIKeyWBHMTTLDIAMPAD-QBVZTITDSA-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)
VM48641 (CHEBI:199617) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,3'R,4S,5'S,6S,6'S,8R,10E,13R,14E,16Z,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',24-dihydroxy-18,21-dimethoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual XrefsDatabases
78436520ChemSpider