CHEBI:69833 - Ostruthin

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ChEBI Name Ostruthin
ChEBI ID CHEBI:69833
Definition A natural product found in Peucedanum ostruthium.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:7802
Supplier Information
Download Molfile XML SDF
Formulae C19H22O3
C19H22O3
Net Charge 0
Average Mass 298.37620
Monoisotopic Mass 298.15689
InChI InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
InChIKey INBMTJJPUABOQJ-VGOFMYFVSA-N
SMILES CC(C)=CCC\C(C)=C\Cc1cc2ccc(=O)oc2cc1O
Metabolite of Species Details
Peucedanum ostruthium (NCBI:txid1000424) Found in root (BTO:0001188). Dichloromethane extract of dried, powdered roots and rhizomes See: PubMed
Peucedanum ostruthium (NCBI:txid1000424) Found in rhizome (BTO:0001181). 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 Ostruthin (CHEBI:69833) has role metabolite (CHEBI:25212)
Ostruthin (CHEBI:69833) is a terpene lactone (CHEBI:37668)
Synonyms Sources
2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- ChEBI
6-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxycoumarin ChEBI
6-Geranyl-7-hydroxycoumarin ChEBI
Ostruthin KEGG COMPOUND
Manual Xrefs Databases
C00002489 KNApSAcK
C09281 KEGG COMPOUND
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Registry Numbers Types Sources
148-83-4 CAS Registry Number KEGG COMPOUND
148-83-4 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:hydroxycoumarin(CHEBI:37912); ISA:1-benzopyran(CHEBI:38443); ISA:monoterpenoid(CHEBI:25409); ISA:pyranone(CHEBI:37963); ISA:phenols(CHEBI:33853); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000); ISA:aromatic alcohol(CHEBI:33854);