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CHEBI:216421 - LL-F28249gamma

ChEBI IDCHEBI:216421
ChEBI NameLL-F28249gamma
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50O8
Net Charge0
Average Mass598.777
Monoisotopic Mass598.35057
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\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C
InChIInChI=1S/C35H50O8/c1-8-22(4)30-24(6)29(36)18-34(43-30)17-27-16-26(42-34)13-12-21(3)14-20(2)10-9-11-25-19-40-32-31(39-7)23(5)15-28(33(37)41-27)35(25,32)38/h8-12,15,20,24,26-32,36,38H,13-14,16-19H2,1-7H3/b10-9+,21-12+,22-8+,25-11-/t20-,24-,26+,27-,28-,29-,30+,31+,32+,34-,35+/m0/s1
InChIKeyRMCUZOFMWLMCCE-BVLDBNLTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3372359)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
LL-F28249gamma (CHEBI:216421) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-4',24-dihydroxy-21-methoxy-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
9932964ChemSpider