Ipomeamaronolide (CHEBI:174519)

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ChEBI Ontology

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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	Ipomeamaronolide

ChEBI ID	CHEBI:174519

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O4

Net Charge

Average Mass

266.337

Monoisotopic Mass

266.15181

InChI

InChI=1S/C15H22O4/c1-10(2)8-11(16)9-15(3)6-4-13(19-15)12-5-7-18-14(12)17/h5,10,13H,4,6-9H2,1-3H3/t13-,15+/m1/s1

InChIKey

WZUJTFLPWFXBST-HIFRSBDPSA-N

SMILES

O1[C@@](CC[C@@H]1C2=CCOC2=O)(CC(=O)CC(C)C)C

ChEBI Ontology
Outgoing	Ipomeamaronolide (CHEBI:174519) is a butenolide (CHEBI:50523)

IUPAC Name

4-[(2R,5S)-5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-uran-5-one