1-Hydroxyacorenone (CHEBI:168222)

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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	1-Hydroxyacorenone

ChEBI ID	CHEBI:168222

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.338

Monoisotopic Mass

250.15689

InChI

InChI=1S/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3

InChIKey

PUPNOMJEHZIMFF-UHFFFAOYSA-N

SMILES

OC1(C2(C(CC1=O)C)CC(=O)C(=CC2)C)C(C)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	1-Hydroxyacorenone (CHEBI:168222) is a cyclohexenones (CHEBI:48953)

IUPAC Name

4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione