EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201813 - Oxacyclododecindione

ChEBI IDCHEBI:201813
ChEBI NameOxacyclododecindione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21ClO6
Net Charge0
Average Mass368.813
Monoisotopic Mass368.10267
SMILESC/C1=C/CCC(C)(O)C(C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O
InChIInChI=1S/C18H21ClO6/c1-9-5-4-6-18(3,24)10(2)25-14(22)7-11-15(17(9)23)12(20)8-13(21)16(11)19/h5,8,10,20-21,24H,4,6-7H2,1-3H3/b9-5-
InChIKeyCKSXTSLBLCBNFG-UITAMQMPSA-N
Species of MetaboliteComponentSourceComments
Exserohilum rostratum (ncbitaxon:1659837) - PubMed (18653993)
ChEBI Ontology
Outgoing Relation(s)
Oxacyclododecindione (CHEBI:201813) is a macrolide (CHEBI:25106)
IUPAC Name 
(9Z)-16-chloro-6,13,15-trihydroxy-5,6,10-trimethyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
Manual XrefsDatabases
78434702ChemSpider