Chloronatronochrome (CHEBI:217378)

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CHEBI:217378 - Chloronatronochrome

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ChEBI ID	CHEBI:217378
ChEBI Name	Chloronatronochrome
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H23ClO3
Net Charge	0
Average Mass	382.887
Monoisotopic Mass	382.13357
SMILES	COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1ccc(Cl)c(O)c1C
InChI	InChI=1S/C23H23ClO3/c1-19-20(17-18-21(24)23(19)26)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(25)27-2/h3-18,26H,1-2H3/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13+,16-14+
InChIKey	UMRDFAWGXONLRR-BKCCTOCRSA-N

Species of Metabolite	Component	Source	Comments
Thioalkalivibrio (ncbitaxon:106633)	-	DOI (10.1016/j.tetlet.2004.09.073)

ChEBI Ontology

Outgoing Relation(s)
	Chloronatronochrome (CHEBI:217378) is a hydroxytoluene (CHEBI:24751)

IUPAC Name
methyl (2E,4E,6E,8E,10E,12E,14E)-15-(4-chloro-3-hydroxy-2-methylphenyl)pentadeca-2,4,6,8,10,12,14-heptaenoate

Manual Xrefs	Databases
78436019	ChemSpider