Annuionone A (CHEBI:174155)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Annuionone A

ChEBI ID	CHEBI:174155

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

Submitter	MetaboLights

Supplier Information	ZINC000072128478

Download	Molfile XML SDF

Formula

C13H20O3

Net Charge

Average Mass

224.300

Monoisotopic Mass

224.14124

InChI

InChI=1S/C13H20O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h11H,4-8H2,1-3H3/t11-,12-,13-/m1/s1

InChIKey

WFJIRKYCKBTOGT-JHJVBQTASA-N

SMILES

O1[C@]2([C@@H]([C@@](C1)(CC(=O)C2)C)CCC(=O)C)C

ChEBI Ontology
Outgoing	Annuionone A (CHEBI:174155) is a oxacycle (CHEBI:38104)

IUPAC Name

(1S,5R,8R)-1,5-dimethyl-8-(3-oxobutyl)-6-oxabicyclo[3.2.1]octan-3-one