(E,5R)-5-[(1R,5R,6Z,9E,13R,15R)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid (CHEBI:219245)

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CHEBI:219245 - (E,5R)-5-[(1R,5R,6Z,9E,13R,15R)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid

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ChEBI ID	CHEBI:219245
ChEBI Name	(E,5R)-5-[(1R,5R,6Z,9E,13R,15R)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H31ClO9
Net Charge	0
Average Mass	486.945
Monoisotopic Mass	486.16566
SMILES	CC(=O)O[C@@H]1CC(=O)O[C@@H]2C[C@@H](CC/C(Cl)=C\C/C=C\1CO)O[C@@H]2[C@H](O)/C=C(\C)CC(=O)O
InChI	InChI=1S/C23H31ClO9/c1-13(9-21(28)29)8-18(27)23-20-10-17(32-23)7-6-16(24)5-3-4-15(12-25)19(31-14(2)26)11-22(30)33-20/h4-5,8,17-20,23,25,27H,3,6-7,9-12H2,1-2H3,(H,28,29)/b13-8+,15-4-,16-5+/t17-,18-,19-,20-,23-/m1/s1
InChIKey	KQAVQMQEPIWDEG-DDLODHIKSA-N

Species of Metabolite	Component	Source	Comments
Serratia liquefaciens (ncbitaxon:614)	-	PubMed (16392681)

ChEBI Ontology

Outgoing Relation(s)
	(E,5R)-5-[(1R,5R,6Z,9E,13R,15R)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid (CHEBI:219245) is a macrolide (CHEBI:25106)

IUPAC Name
(E,5R)-5-[(1R,5R,6Z,9E,13R,15R)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid

Manual Xrefs	Databases
13107007	ChemSpider