Acremodiol (CHEBI:213783)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Acremodiol

ChEBI ID	CHEBI:213783

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O6

Net Charge

Average Mass

286.324

Monoisotopic Mass

286.14164

InChI

InChI=1S/C14H22O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5,7,9-12,15-16H,3-4,6,8H2,1-2H3/b7-5-/t9-,10-,11-,12-/m1/s1

InChIKey

UXOMTBTZXNATRM-YGNZAYSGSA-N

SMILES

O=C1O[C@@H]([C@H](O)CCC(=O)O[C@@H](CC[C@H](C=C1)O)C)C

ChEBI Ontology
Outgoing	Acremodiol (CHEBI:213783) is a macrolide (CHEBI:25106)

IUPAC Name

(5R,6R,9Z,11R,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-9-ene-2,8-dione