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CHEBI:199799 - LL-F28249alpha

ChEBI IDCHEBI:199799
ChEBI NameLL-F28249alpha
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O8
Net Charge0
Average Mass612.804
Monoisotopic Mass612.36622
SMILESCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1
InChIInChI=1S/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10-/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1
InChIKeyYNFMRVVYUVPIAN-RPGLZKLOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces cyaneogriseus (ncbitaxon:68192) - PubMed (3372359)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
LL-F28249alpha (CHEBI:199799) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual XrefsDatabases
24750875ChemSpider