vladinol D (CHEBI:69543)

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ChEBI Name	vladinol D

ChEBI ID	CHEBI:69543

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O7

Net Charge

Average Mass

374.38450

Monoisotopic Mass

374.13655

InChI

InChI=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

InChIKey

RWAKIPFJHIOZAN-PJSUUKDQSA-N

SMILES

COc1cc(ccc1O)[C@H]1OC[C@@H]([C@@H]1CO)C(=O)c1ccc(O)c(OC)c1

Metabolite of Species	Details
Rubia yunnanensis (IPNI:765385-1)	Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. 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	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 Number	Type	Source
15775152	Reaxys Registry Number	Reaxys

Last Modified

07 April 2017