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CHEBI:216106 - Doramectin congener 2

ChEBI IDCHEBI:216106
ChEBI NameDoramectin congener 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48O6
Net Charge0
Average Mass576.774
Monoisotopic Mass576.34509
SMILESC/C1=C/C=C\[C@H](C)[C@H](O)/C(C)=C\C[C@@H]2C[C@@H](C[C@]3(C=C[C@H](C)[C@@H](C4CCCCC4)O3)O2)OC(=O)c2cc(C)c(O)cc21
InChIInChI=1S/C36H48O6/c1-22-10-9-11-23(2)33(38)24(3)14-15-28-19-29(40-35(39)31-18-26(5)32(37)20-30(22)31)21-36(41-28)17-16-25(4)34(42-36)27-12-7-6-8-13-27/h9-11,14,16-18,20,23,25,27-29,33-34,37-38H,6-8,12-13,15,19,21H2,1-5H3/b11-9-,22-10-,24-14-/t23-,25-,28+,29-,33-,34-,36+/m0/s1
InChIKeyJGHHZFRACXEISZ-WMUIGDBJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22083924)
ChEBI Ontology
Outgoing Relation(s)
Doramectin congener 2 (CHEBI:216106) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2'R,3'S,10Z,12Z,14S,15S,16Z,19R,21S)-2'-cyclohexyl-7,15-dihydroxy-3',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,6'-2,3-dihydropyran]-3-one
Manual XrefsDatabases
78441148ChemSpider