Aurantiacone (CHEBI:229064)

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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	Aurantiacone

ChEBI ID	CHEBI:229064

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H26O4

Net Charge

Average Mass

306.402

Monoisotopic Mass

306.18311

InChI

InChI=1S/C18H26O4/c1-12(2)6-5-7-13(3)8-9-16-17(20)11-15(10-14(4)19)22-18(16)21/h6,8,11,14,19,21H,5,7,9-10H2,1-4H3/b13-8+

InChIKey

NYCYZTPIGKMQEH-MDWZMJQESA-N

SMILES

O1C(CC(O)C)=CC(=O)C(C\C=C(\CCC=C(C)C)/C)=C1O

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	Aurantiacone (CHEBI:229064) is a monoterpenoid (CHEBI:25409)

IUPAC Name

3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-6-(2-hydroxypropyl)pyran-4-one