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CHEBI:206300 - Doramectin congener 4

ChEBI IDCHEBI:206300
ChEBI NameDoramectin congener 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O8
Net Charge0
Average Mass612.804
Monoisotopic Mass612.36622
SMILESCO[C@H]1C[C@@]2(O)/C(C)=C\C=C/CC(=O)/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(C[C@H](O)[C@H](C)C(C5CCCCC5)O4)O3)OC(=O)[C@@H]2C=C1C
InChIInChI=1S/C36H52O8/c1-22-15-16-27-18-28(19-35(43-27)20-31(38)25(4)33(44-35)26-12-7-6-8-13-26)42-34(39)29-17-23(2)32(41-5)21-36(29,40)24(3)11-9-10-14-30(22)37/h9-11,15,17,25-29,31-33,38,40H,6-8,12-14,16,18-21H2,1-5H3/b10-9-,22-15-,24-11-/t25-,27+,28-,29-,31-,32-,33?,35-,36+/m0/s1
InChIKeyXNDKDRSLGCMUMY-IJHXDUKHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22083924)
ChEBI Ontology
Outgoing Relation(s)
Doramectin congener 4 (CHEBI:206300) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,4R,4'S,5'S,7S,9S,10Z,12Z,16Z,19R,21R)-6'-cyclohexyl-4',9-dihydroxy-7-methoxy-5',6,10,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3,15-dione