7-O-6'-(2"-acetyl phenyl)-5'-hydroxyhexanoate-macrolactin (CHEBI:208822)

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CHEBI:208822 - 7-O-6'-(2"-acetyl phenyl)-5'-hydroxyhexanoate-macrolactin

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ChEBI ID	CHEBI:208822
ChEBI Name	7-O-6'-(2"-acetyl phenyl)-5'-hydroxyhexanoate-macrolactin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H50O8
Net Charge	0
Average Mass	634.810
Monoisotopic Mass	634.35057
SMILES	CC(=O)c1ccccc1CC(O)CCCC(=O)OC1/C=C/C=C\CC(O)CC(O)/C=C/C=C/CCCC(C)OC(=O)/C=C\C=C\C1
InChI	InChI=1S/C38H50O8/c1-29-17-8-4-3-5-9-19-33(41)28-34(42)20-10-6-11-22-35(23-12-7-13-25-37(43)45-29)46-38(44)26-16-21-32(40)27-31-18-14-15-24-36(31)30(2)39/h3,5-7,9-15,18-19,22,24-25,29,32-35,40-42H,4,8,16-17,20-21,23,26-28H2,1-2H3/b5-3+,10-6-,12-7+,19-9+,22-11+,25-13-
InChIKey	DHVYLZQRJIDHEI-FTEXIHFASA-N

Species of Metabolite	Component	Source	Comments
Bacillus (ncbitaxon:1386)	-	PubMed (29108108)

ChEBI Ontology

Outgoing Relation(s)
	7-O-6'-(2"-acetyl phenyl)-5'-hydroxyhexanoate-macrolactin (CHEBI:208822) is a macrolide (CHEBI:25106)

IUPAC Name
[(3Z,5E,9E,11Z,17E,19E)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl] 6-(2-acetylphenyl)-5-hydroxyhexanoate

Manual Xrefs	Databases
64185953	ChemSpider