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CHEBI:69831 - ostruthol

ChEBI IDCHEBI:69831
ChEBI Nameostruthol
Stars
DefinitionA natural product found in Peucedanum ostruthium.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESC/C=C(/C)C(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
InChIInChI=1S/C21H22O7/c1-5-12(2)20(23)28-17(21(3,4)24)11-26-19-13-6-7-18(22)27-16(13)10-15-14(19)8-9-25-15/h5-10,17,24H,11H2,1-4H3/b12-5-/t17-/m1/s1
InChIKeyWXULKGXQMWVWMP-OMLDUKLJSA-N
Species of MetaboliteComponentSourceComments
Peucedanum ostruthium (ncbitaxon:1000424)
rhizome (BTO:0001181) PubMed (21627108) Dichloromethane extract of dried, powdered roots and rhizomes
root (BTO:0001188) PubMed (21627108) Dichloromethane extract of dried, powdered roots and rhizomes
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ostruthol (CHEBI:69831) has role metabolite (CHEBI:25212)
ostruthol (CHEBI:69831) is a furanocoumarin (CHEBI:24128)
Synonym  Source
(R-(Z))-(2-Hydroxy-2-methyl-1-(((7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)oxy)methyl)propyl) 2-methyl-2-butenoateChEBI
Registry NumbersSources
CAS:642-08-0ChemIDplus
Citations