CHEBI:70476 - bergomottin

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ChEBI Name bergomottin
ChEBI ID CHEBI:70476
Definition A natural product found in Citrus hystrix.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H22O4
Net Charge 0
Average Mass 338.39700
Monoisotopic Mass 338.15181
InChI InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey DBMJZOMNXBSRED-OQLLNIDSSA-N
SMILES CC(C)=CCC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12
Metabolite of Species Details
Citrus hystrix (NCBI:txid170989) Found in exocarp (BTO:0000733). The hexane extract of dried and ground fruit peels 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 bergomottin (CHEBI:70476) has role metabolite (CHEBI:25212)
bergomottin (CHEBI:70476) is a furanocoumarin (CHEBI:24128)
Synonyms Sources
4-{[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g]chromen-7-one ChEBI
5-Geranoxypsoralen ChEBI
Bergamotine ChEBI
bergamottin ChEBI
Bergaptin ChEBI
Registry Number Type Source
7380-40-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
20964319 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:psoralens(CHEBI:26369); ISA:1-benzopyran(CHEBI:38443); ISA:monoterpenoid(CHEBI:25409); ISA:benzofurans(CHEBI:35259); ISA:pyranone(CHEBI:37963); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:furans(CHEBI:24129); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:lactone(CHEBI:25000);