10alpha-hydroxyeremophil-7(11)-en-2,3:12,8-diolide (CHEBI:228120)

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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	10alpha-hydroxyeremophil-7(11)-en-2,3:12,8-diolide

ChEBI ID	CHEBI:228120

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

InChIKey

QKEVTLSBBPHPDF-ATLFLLQCSA-N

SMILES

O=C1OC[C@H](C)[C@@]2([C@](C1)(O)C[C@H]3OC(=O)C(=C3C2)C)C

ChEBI Ontology
Outgoing	10alpha-hydroxyeremophil-7(11)-en-2,3:12,8-diolide (CHEBI:228120) is a butenolide (CHEBI:50523)

IUPAC Name

(4aR,5R,9aS,10aR)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,9,10,10a-hexahydrooxepino[4,5-][1]benzouran-2,8-dione