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CHEBI:69543 - vladinol D

ChEBI IDCHEBI:69543
ChEBI Namevladinol D
Stars
DefinitionA lignan which consists of tetrahydrofuran skeleton substituted by a hydroxymethyl group at position 4, a 4-hydroxy-3-methoxyphenyl group at position 5 and a 4-hydroxy-3-methoxybenzoyl group at position 3. It has been isolated from the roots of Rubia yunnanensis.
Last Modified7 April 2017
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILESCOc1cc(C(=O)[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O
InChIInChI=1S/C20H22O7/c1-25-17-7-11(3-5-15(17)22)19(24)14-10-27-20(13(14)9-21)12-4-6-16(23)18(8-12)26-2/h3-8,13-14,20-23H,9-10H2,1-2H3/t13-,14-,20+/m0/s1
InChIKeyRWAKIPFJHIOZAN-PJSUUKDQSA-N
Species of MetaboliteComponentSourceComments
Rubia yunnanensis (IPNI:765385-1) root (BTO:0001188) PubMed (21973054) Methanolic extract of air dried powdered roots.
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)
vladinol D (CHEBI:69543) has role plant metabolite (CHEBI:76924)
vladinol D (CHEBI:69543) is a aromatic ketone (CHEBI:76224)
vladinol D (CHEBI:69543) is a guaiacols (CHEBI:134251)
vladinol D (CHEBI:69543) is a lignan (CHEBI:25036)
vladinol D (CHEBI:69543) is a oxolanes (CHEBI:26912)
vladinol D (CHEBI:69543) is a polyphenol (CHEBI:26195)
vladinol D (CHEBI:69543) is a primary alcohol (CHEBI:15734)
Registry NumbersSources
Reaxys:15775152Reaxys
Citations