EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228052 - Cosmochlorin B

ChEBI IDCHEBI:228052
ChEBI NameCosmochlorin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18Cl2O4
Net Charge0
Average Mass369.244
Monoisotopic Mass368.05821
SMILESCC1=CC(=O)O[C@](C)(/C=C/C=C(\C)c2c(Cl)c(O)cc(O)c2Cl)C1
InChIInChI=1S/C18H18Cl2O4/c1-10-7-14(23)24-18(3,9-10)6-4-5-11(2)15-16(19)12(21)8-13(22)17(15)20/h4-8,21-22H,9H2,1-3H3/b6-4+,11-5+/t18-/m1/s1
InChIKeyPOCKNPOBOYYAPB-QKRBWVCVSA-N
Species of MetaboliteComponentSourceComments
Cosmospora (ncbitaxon:115234) - DOI (10.1016/j.phytol.2016.09.007)
ChEBI Ontology
Outgoing Relation(s)
Cosmochlorin B (CHEBI:228052) is a olefinic compound (CHEBI:78840)
IUPAC Name 
2-[(1E,3E)-4-(2,6-dichloro-3,5-dihydroxyphenyl)penta-1,3-dienyl]-2,4-dimethyl-3H-pyran-6-one
Manual XrefsDatabases
60597007ChemSpider