CHEBI:69831 - ostruthol

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ChEBI Name ostruthol
ChEBI ID CHEBI:69831
Definition A natural product found in Peucedanum ostruthium.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H22O7
Net Charge 0
Average Mass 386.39520
Monoisotopic Mass 386.13655
InChI InChI=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
InChIKey WXULKGXQMWVWMP-OMLDUKLJSA-N
SMILES C\C=C(\C)C(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
Metabolite of Species Details
Peucedanum ostruthium (NCBI:txid1000424) Found in rhizome (BTO:0001181). Dichloromethane extract of dried, powdered roots and rhizomes See: PubMed
Peucedanum ostruthium (NCBI:txid1000424) Found in root (BTO:0001188). Dichloromethane extract of dried, powdered roots and rhizomes See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-butenoate ChEBI
Registry Number Type Source
642-08-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21627108 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:psoralens(CHEBI:26369); ISA:1-benzopyran(CHEBI:38443); ISA:benzofurans(CHEBI:35259); ISA:fatty acid ester(CHEBI:35748); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:tertiary alcohol(CHEBI:26878); ISA:furans(CHEBI:24129); ISA:lactone(CHEBI:25000); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);