1-Hydroxyacoronene (CHEBI:228319)

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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-Hydroxyacoronene

ChEBI ID	CHEBI:228319

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/t11-,14-,15+/m0/s1

InChIKey

PUPNOMJEHZIMFF-TUKIKUTGSA-N

SMILES

O[C@]1([C@]2([C@H](CC1=O)C)CC(=O)C(=CC2)C)C(C)C

ChEBI Ontology
Outgoing	1-Hydroxyacoronene (CHEBI:228319) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1S,4S,5S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione