1alpha,10alpha-epoxy-2beta,13-dihydroxyeremophil-7(11)-en-12,8beta-olide (CHEBI:228112)

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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-2beta,13-dihydroxyeremophil-7(11)-en-12,8beta-olide

ChEBI ID	CHEBI:228112

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O5

Net Charge

Average Mass

280.320

Monoisotopic Mass

280.13107

InChI

InChI=1S/C15H20O5/c1-7-3-10(17)12-15(20-12)5-11-8(4-14(7,15)2)9(6-16)13(18)19-11/h7,10-12,16-17H,3-6H2,1-2H3/t7-,10+,11+,12-,14+,15-/m0/s1

InChIKey

SZIDCRVNCCGWLC-PUPHEFRMSA-N

SMILES

O=C1O[C@@H]2C[C@]34O[C@H]3[C@H](O)C[C@@H]([C@]4(CC2=C1CO)C)C

ChEBI Ontology
Outgoing	1alpha,10alpha-epoxy-2beta,13-dihydroxyeremophil-7(11)-en-12,8beta-olide (CHEBI:228112) is a naphthofuran (CHEBI:39270)

IUPAC Name

(1R,3R,9R,10S,12R,13S)-12-hydroxy-6-(hydroxymethyl)-9,10-dimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one