CHEBI:70489 - (7'S)-parabenzlactone

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ChEBI Name (7'S)-parabenzlactone
ChEBI ID CHEBI:70489
ChEBI ASCII Name (7'S)-parabenzlactone
Definition A lignan isolated from the leaves Piper sanguineispicum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H18O7
Net Charge 0
Average Mass 370.35270
Monoisotopic Mass 370.10525
InChI InChI=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
InChIKey NHMODCAASJDQKF-BIENJYKASA-N
SMILES O[C@@H]([C@H]1COC(=O)[C@@H]1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1
Metabolite of Species Details
Piper sanguineispicum (IPNI:199083-2) Found in leaf (BTO:0000713). 90% ethanolic extract of dried leaves 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (7'S)-parabenzlactone (CHEBI:70489) has role plant metabolite (CHEBI:76924)
(7'S)-parabenzlactone (CHEBI:70489) is a γ-lactone (CHEBI:37581)
(7'S)-parabenzlactone (CHEBI:70489) is a benzodioxoles (CHEBI:38298)
(7'S)-parabenzlactone (CHEBI:70489) is a lignan (CHEBI:25036)
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 Number Type Source
11003333 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
20954722 PubMed citation Europe PMC
Last Modified
15 April 2015