Cubebininolide (CHEBI:191572)

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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	Cubebininolide

ChEBI ID	CHEBI:191572

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H30O8

Net Charge

Average Mass

446.496

Monoisotopic Mass

446.19407

InChI

InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3

InChIKey

VUNCHONBJWJYID-UHFFFAOYSA-N

SMILES

O1CC(C(CC2=CC(OC)=C(OC)C(OC)=C2)C1=O)CC3=CC(OC)=C(OC)C(OC)=C3

Metabolite of Species	Details
Ulmus parvifolia (NCBI:txid63058)	Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058)	Found in bark (BTO:0001301). See: MetaboLights Study

ChEBI Ontology
Outgoing	Cubebininolide (CHEBI:191572) is a lignan (CHEBI:25036)

IUPAC Name

3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one