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CHEBI:69095 - edudiol

ChEBI IDCHEBI:69095
ChEBI Nameedudiol
Stars
DefinitionA member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methoxy group at position 1 and a prenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
Last Modified16 January 2014
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILES[H][C@@]12COc3cc(O)c(CC=C(C)C)c(OC)c3[C@]1([H])Oc1cc(O)ccc12
InChIInChI=1S/C21H22O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,15,21-23H,6,10H2,1-3H3/t15-,21+/m0/s1
InChIKeyHCBAFFVITJAXJE-YCRPNKLZSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (22074222) Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier
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)
edudiol (CHEBI:69095) has functional parent (6aR,11aR)-pterocarpan (CHEBI:73133)
edudiol (CHEBI:69095) has role plant metabolite (CHEBI:76924)
edudiol (CHEBI:69095) is a aromatic ether (CHEBI:35618)
edudiol (CHEBI:69095) is a polyphenol (CHEBI:26195)
edudiol (CHEBI:69095) is a pterocarpans (CHEBI:26377)
IUPAC Name 
(6aR,11aR)-1-methoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Synonym  Source
3,9-dihydroxy-1-methoxy-2-prenylpterocarpanChEBI
Manual XrefsDatabases
LMPK12070095LIPID MAPS
Registry NumbersSources
Reaxys:22194631Reaxys
Citations