(-)-pluviatolide (CHEBI:90896)

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ChEBI Name	(−)-pluviatolide

ChEBI ID	CHEBI:90896

ChEBI ASCII Name	(-)-pluviatolide

Definition	A butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C20H20O6

Net Charge

Average Mass

356.370

Monoisotopic Mass

356.12599

InChI

InChI=1S/C20H20O6/c1-23-18-8-13(2-4-16(18)21)7-15-14(10-24-20(15)22)6-12-3-5-17-19(9-12)26-11-25-17/h2-5,8-9,14-15,21H,6-7,10-11H2,1H3/t14-,15+/m0/s1

InChIKey

OCTZTNYFALPGHW-LSDHHAIUSA-N

SMILES

C([C@@H]1[C@H](COC1=O)CC2=CC=C3OCOC3=C2)C4=CC=C(O)C(=C4)OC

Metabolite of Species	Details
Syringa pinnatifolia (NCBI:txid149022)	of strain var. alashanensis See: PubMed
Bupleurum salicifolium (NCBI:txid199751)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	(−)-pluviatolide (CHEBI:90896) has role plant metabolite (CHEBI:76924) (−)-pluviatolide (CHEBI:90896) is a aromatic ether (CHEBI:35618) (−)-pluviatolide (CHEBI:90896) is a benzodioxoles (CHEBI:38298) (−)-pluviatolide (CHEBI:90896) is a butan-4-olide (CHEBI:22950) (−)-pluviatolide (CHEBI:90896) is a lignan (CHEBI:25036) (−)-pluviatolide (CHEBI:90896) is a phenols (CHEBI:33853)

Incoming	(−)-bursehernin (CHEBI:90893) has functional parent (−)-pluviatolide (CHEBI:90896)

IUPAC Name

(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one

Last Modified

13 January 2016