9-Hydroxy-3-epi-perforenone A (CHEBI:212778)

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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	9-Hydroxy-3-epi-perforenone A

ChEBI ID	CHEBI:212778

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

Submitter	MetaboLights

Supplier Information

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Formula

C15H22O3

Net Charge

Average Mass

250.338

Monoisotopic Mass

250.15689

InChI

InChI=1S/C15H22O3/c1-8-5-6-15(4)10(3)14(18)13(17)9(2)12(15)11(16)7-8/h5,10-11,14,16,18H,6-7H2,1-4H3/t10-,11+,14+,15+/m0/s1

InChIKey

STLDUPLKJSWMBL-RBDSIQFVSA-N

SMILES

O=C1C(=C2[C@@](CC=C(C[C@H]2O)C)(C)[C@H]([C@H]1O)C)C

ChEBI Ontology
Outgoing	9-Hydroxy-3-epi-perforenone A (CHEBI:212778) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(3R,4R,4aR,9R)-3,9-dihydroxy-1,4,4a,7-tetramethyl-4,5,8,9-tetrahydro-3H-benzo[7]annulen-2-one