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CHEBI:212135 - 4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy-5-

ChEBI IDCHEBI:212135
ChEBI Name4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy-5-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H60O10
Net Charge0
Average Mass712.921
Monoisotopic Mass712.41865
SMILESCCC(C)C1OC2(C=CC1C)CC1CC(C/C=C(/C)C(OC3CC(OC)C(O)C(C)O3)C(C)/C=C\C=C(\C)C3(O)CC(=O)C(C)=CC3C(=O)O1)O2
InChIInChI=1S/C41H60O10/c1-10-23(2)38-26(5)16-17-40(51-38)21-31-19-30(50-40)15-14-25(4)37(49-35-20-34(46-9)36(43)29(8)47-35)24(3)12-11-13-28(7)41(45)22-33(42)27(6)18-32(41)39(44)48-31/h11-14,16-18,23-24,26,29-32,34-38,43,45H,10,15,19-22H2,1-9H3/b12-11-,25-14-,28-13-
InChIKeyIYBATDVJOWONSJ-PIJYGZGWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces avermitilis (ncbitaxon:33903) - PubMed (7868391)
ChEBI Ontology
Outgoing Relation(s)
4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy-5- (CHEBI:212135) is a macrolide (CHEBI:25106)
IUPAC Name 
(10Z,12Z,16Z)-2'-butan-2-yl-9-hydroxy-15-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,6'-2,3-dihydropyran]-3,7-dione
Manual XrefsDatabases
78444156ChemSpider