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CHEBI:228050 - Cosmochlorin A

ChEBI IDCHEBI:228050
ChEBI NameCosmochlorin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18Cl2O4
Net Charge0
Average Mass369.244
Monoisotopic Mass368.05821
SMILESCC(=C\C(=O)O)/C=C(C)/C=C/C=C(\C)c1c(Cl)c(O)cc(O)c1Cl
InChIInChI=1S/C18H18Cl2O4/c1-10(7-11(2)8-15(23)24)5-4-6-12(3)16-17(19)13(21)9-14(22)18(16)20/h4-9,21-22H,1-3H3,(H,23,24)/b5-4+,10-7+,11-8+,12-6+
InChIKeyRIEOALOJHFKURR-LMXNXNORSA-N
Species of MetaboliteComponentSourceComments
Cosmospora (ncbitaxon:115234) - DOI (10.1016/j.phytol.2016.09.007)
ChEBI Ontology
Outgoing Relation(s)
Cosmochlorin A (CHEBI:228050) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2E,4E,6E,8E)-9-(2,6-dichloro-3,5-dihydroxyphenyl)-3,5-dimethyldeca-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
60597006ChemSpider