1alpha,10alpha-Epoxy-3alpha-hydroxyeremophil-7(11)-en-12,8beta-olide (CHEBI:219112)

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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	1alpha,10alpha-Epoxy-3alpha-hydroxyeremophil-7(11)-en-12,8beta-olide

ChEBI ID	CHEBI:219112

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O4

Net Charge

Average Mass

278.348

Monoisotopic Mass

278.15181

InChI

InChI=1S/C16H22O4/c1-4-9-10-6-15(3)8(2)11(17)5-13-16(15,20-13)7-12(10)19-14(9)18/h8,11-13,17H,4-7H2,1-3H3/t8-,11+,12+,13-,15+,16-/m0/s1

InChIKey

YUAHUHWACOPKKP-JDMJGXPFSA-N

SMILES

O=C1O[C@@H]2C[C@]34O[C@H]3C[C@H]([C@@H]([C@]4(CC2=C1CC)C)C)O

Metabolite of Species	Details
Xylaria (NCBI:txid37991)	See: PubMed

ChEBI Ontology
Outgoing	1alpha,10alpha-Epoxy-3alpha-hydroxyeremophil-7(11)-en-12,8beta-olide (CHEBI:219112) is a naphthofuran (CHEBI:39270)

IUPAC Names

(1R,3R,9R,10R,11R,13S)-11-hydroxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one

(1R,3R,9R,10R,11R,13S)-6-ethyl-11-hydroxy-9,10-dimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one