Cochliomycin C (CHEBI:206239)

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CHEBI:206239 - Cochliomycin C

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ChEBI ID	CHEBI:206239
ChEBI Name	Cochliomycin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H23ClO7
Net Charge	0
Average Mass	398.839
Monoisotopic Mass	398.11323
SMILES	COc1cc(O)c2c(c1Cl)/C=C/C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O
InChI	InChI=1S/C19H23ClO7/c1-10-5-3-7-12(21)18(24)13(22)8-4-6-11-16(19(25)27-10)14(23)9-15(26-2)17(11)20/h3-4,6-7,9-10,12-13,18,21-24H,5,8H2,1-2H3/b6-4+,7-3+/t10-,12+,13-,18+/m0/s1
InChIKey	ASZQCWYVQBKBBJ-KOAAHNDQSA-N

Species of Metabolite	Component	Source	Comments
Curvularia lunata (ncbitaxon:5503)	-	PubMed (21348465)

ChEBI Ontology

Outgoing Relation(s)
	Cochliomycin C (CHEBI:206239) is a macrolide (CHEBI:25106)

IUPAC Name
(4S,6E,8R,9S,10S,12E)-15-chloro-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one

Manual Xrefs	Databases
78441067	ChemSpider