CHEBI:69040 - Seselin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Seselin
ChEBI ID CHEBI:69040
Definition A natural product found in Citropsis articulata.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:9129
Supplier Information
Download Molfile XML SDF
Formulae C14H12O3
C14H12O3
Net Charge 0
Average Mass 228.24330
Monoisotopic Mass 228.07864
InChI InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
InChIKey QUVCQYQEIOLHFZ-UHFFFAOYSA-N
SMILES CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1
Metabolite of Species Details
Citropsis articulata (IPNI:771824-1) Found in root (BTO:0001188). Previous component: root bark; Cyclohexane and ethyl acetate extract of dried, powdered root bark. 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 Seselin (CHEBI:69040) has role metabolite (CHEBI:25212)
Seselin (CHEBI:69040) is a coumarins (CHEBI:23403)
Synonyms Sources
8,8-dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one ChEBI
Amyrolin ChEBI
Seselin KEGG COMPOUND
Manual Xrefs Databases
C00000300 KNApSAcK
C09312 KEGG COMPOUND
HMDB0034257 HMDB
View more database links
Registry Numbers Types Sources
523-59-1 CAS Registry Number KEGG COMPOUND
523-59-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21985060 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:chromenes(CHEBI:23232); ISA:1-benzopyran(CHEBI:38443); 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:lactone(CHEBI:25000);