Cosmochlorin C (CHEBI:228055)

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CHEBI:228055 - Cosmochlorin C

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ChEBI ID	CHEBI:228055
ChEBI Name	Cosmochlorin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H18Cl2O4
Net Charge	0
Average Mass	369.244
Monoisotopic Mass	368.05821
SMILES	CC(/C=C\C=C(/C)c1c(Cl)c(O)cc(O)c1Cl)=C\C(C)=C\C(=O)O
InChI	InChI=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+
InChIKey	RIEOALOJHFKURR-ZVZMONNSSA-N

Species of Metabolite	Component	Source	Comments
Cosmospora (ncbitaxon:115234)	-	DOI (10.1016/j.phytol.2016.09.007)

ChEBI Ontology

Outgoing Relation(s)
	Cosmochlorin C (CHEBI:228055) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(2E,4E,6Z,8E)-9-(2,6-dichloro-3,5-dihydroxyphenyl)-3,5-dimethyldeca-2,4,6,8-tetraenoic acid

Manual Xrefs	Databases
60597008	ChemSpider