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CHEBI:90896 - (−)-pluviatolide

ChEBI IDCHEBI:90896
ChEBI Name(−)-pluviatolide
Stars
ASCII Name(-)-pluviatolide
DefinitionA 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).
Last Modified13 January 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O
InChIInChI=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
InChIKeyOCTZTNYFALPGHW-LSDHHAIUSA-N
Species of MetaboliteComponentSourceComments
Syringa pinnatifolia (ncbitaxon:149022) - PubMed (25769897) Strain: var. alashanensis
Bupleurum salicifolium (ncbitaxon:199751) - PubMed (7964800)
Roles Classification
Biological Role:
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 Relation(s)
(−)-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 Relation(s)
(−)-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
Synonym  Source
pluviatolideMetaCyc
UniProt Name  Source
(−)-pluviatolideUniProt
Manual XrefsDatabases
CPD-17597MetaCyc
C00007201KNApSAcK
Registry NumbersSources
Reaxys:1401095Reaxys
CAS:28115-68-6ChemIDplus
Citations