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CHEBI:69939 - Dentatin

Default Structure
ChEBI IDCHEBI:69939
ChEBI NameDentatin
Stars
DefinitionA natural product found in Clausena harmandiana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H22O4
Net Charge0
Average Mass326.392
Monoisotopic Mass326.15181
SMILESC=CC(C)(C)c1c2c(c(OC)c3ccc(=O)oc13)C=CC(C)(C)O2
InChIInChI=1S/C20H22O4/c1-7-19(2,3)15-17-12(8-9-14(21)23-17)16(22-6)13-10-11-20(4,5)24-18(13)15/h7-11H,1H2,2-6H3
InChIKeyQBFYQVZGIDUNIY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Clausena harmandiana (ncbitaxon:159036) root (BTO:0001188) PubMed (21302964) Crude ethyl acetate extract of air-dried, powdered roots.
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)
Dentatin (CHEBI:69939) has role metabolite (CHEBI:25212)
Dentatin (CHEBI:69939) is a coumarins (CHEBI:23403)
Synonyms  Source
10-(1,1-Dimethyl-allyl)-5-methoxy-8,8-dimethyl-8H-pyrano(3,2-g)chromen-2-oneChEBI
PoncitrinChEBI
Registry NumbersSources
CAS:22980-57-0ChemIDplus
Citations