2,3-Epoxysesamone (CHEBI:174606)

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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	2,3-Epoxysesamone

ChEBI ID	CHEBI:174606

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H14O5

Net Charge

Average Mass

274.272

Monoisotopic Mass

274.08412

InChI

InChI=1S/C15H14O5/c1-7(2)5-6-15-13(19)11-9(17)4-3-8(16)10(11)12(18)14(15)20-15/h3-5,14,16-17H,6H2,1-2H3

InChIKey

TWESJUCJKWFWQV-UHFFFAOYSA-N

SMILES

O1C2(C1C(=O)C=3C(C2=O)=C(O)C=CC3O)CC=C(C)C

ChEBI Ontology
Outgoing	2,3-Epoxysesamone (CHEBI:174606) is a cyclic ketone (CHEBI:3992) 2,3-Epoxysesamone (CHEBI:174606) is a epoxide (CHEBI:32955) 2,3-Epoxysesamone (CHEBI:174606) is a organic heterotricyclic compound (CHEBI:26979) 2,3-Epoxysesamone (CHEBI:174606) is a phenols (CHEBI:33853)

IUPAC Name

3,6-dihydroxy-1a-(3-methylbut-2-enyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione

Last Modified

28 July 2021