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CHEBI:70489 - (7'S)-parabenzlactone

ChEBI IDCHEBI:70489
ChEBI Name(7'S)-parabenzlactone
Stars
ASCII Name(7'S)-parabenzlactone
DefinitionA lignan isolated from the leaves Piper sanguineispicum.
Last Modified15 April 2015
DownloadsMolfile
FormulaC20H18O7
Net Charge0
Average Mass370.357
Monoisotopic Mass370.10525
SMILES[H][C@]1(Cc2ccc3c(c2)OCO3)C(=O)OC[C@]1([H])[C@H](O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H18O7/c21-19(12-2-4-16-18(7-12)27-10-25-16)14-8-23-20(22)13(14)5-11-1-3-15-17(6-11)26-9-24-15/h1-4,6-7,13-14,19,21H,5,8-10H2/t13-,14+,19-/m1/s1
InChIKeyNHMODCAASJDQKF-BIENJYKASA-N
Species of MetaboliteComponentSourceComments
Piper sanguineispicum (IPNI:199083-2) leaf (BTO:0000713) PubMed (20954722) 90% ethanolic extract of dried leaves
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)
(7'S)-parabenzlactone (CHEBI:70489) has role plant metabolite (CHEBI:76924)
(7'S)-parabenzlactone (CHEBI:70489) is a benzodioxoles (CHEBI:38298)
(7'S)-parabenzlactone (CHEBI:70489) is a lignan (CHEBI:25036)
(7'S)-parabenzlactone (CHEBI:70489) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3R,4R)-4-[(S)-(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]-3-[(2H-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
Registry NumbersSources
Reaxys:11003333Reaxys
Citations