1-Hydroxyepiacorone (CHEBI:169594)

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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-Hydroxyepiacorone

ChEBI ID	CHEBI:169594

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O3

Net Charge

Average Mass

252.354

Monoisotopic Mass

252.17254

InChI

InChI=1S/C15H24O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h9-11,18H,5-8H2,1-4H3/t10-,11-,14-,15-/m0/s1

InChIKey

LSSIJCQOMTUIIN-GVARAGBVSA-N

SMILES

O[C@@]1([C@@]2([C@H](CC1=O)C)CC[C@@H](C(=O)C2)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-Hydroxyepiacorone (CHEBI:169594) is a secondary α-hydroxy ketone (CHEBI:2468)

IUPAC Name

(1S,4R,5S,8S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione