EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203729 - Milbemycin beta14

ChEBI IDCHEBI:203729
ChEBI NameMilbemycin beta14
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O6
Net Charge0
Average Mass524.698
Monoisotopic Mass524.31379
SMILESCC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C(\CO)c3cc(O)c(C)cc3C(=O)O1)O2
InChIInChI=1S/C32H44O6/c1-6-30-22(4)12-13-32(38-30)18-26-16-25(37-32)11-10-21(3)14-20(2)8-7-9-24(19-33)27-17-29(34)23(5)15-28(27)31(35)36-26/h7-10,15,17,20,22,25-26,30,33-34H,6,11-14,16,18-19H2,1-5H3/b8-7-,21-10-,24-9-/t20-,22-,25+,26-,30+,32+/m0/s1
InChIKeyCYJZPVCNDSUHMR-GAPVIADPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces bingchenggensis (ncbitaxon:379067) - PubMed (17617691)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Milbemycin beta14 (CHEBI:203729) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,5'S,6'R,10E,12Z,14R,16Z,19R,21R)-6'-ethyl-7-hydroxy-10-(hydroxymethyl)-5',6,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one
Manual XrefsDatabases
78437049ChemSpider