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CHEBI:28853 - isopimpinellin

ChEBI IDCHEBI:28853
ChEBI Nameisopimpinellin
Stars
Secondary ChEBI IDsCHEBI:6040, CHEBI:23815
Last Modified25 February 2016
DownloadsMolfile
FormulaC13H10O5
Net Charge0
Average Mass246.218
Monoisotopic Mass246.05282
SMILESCOc1c2ccoc2c(OC)c2oc(=O)ccc12
InChIInChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
InChIKeyDFMAXQKDIGCMTL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isopimpinellin (CHEBI:28853) is a psoralens (CHEBI:26369)
IUPAC Name 
4,9-dimethoxy-7H-furo[3,2-g]chromen-7-one
Synonyms  Source
IsopimpinellinKEGG COMPOUND
5,8-DimethoxypsoraleneChemIDplus
5,8-DimethoxypsoralenChemIDplus
5,8-DimethoxypsoralenKEGG COMPOUND
UniProt Name  Source
isopimpinellinUniProt
Manual XrefsDatabases
C00000583KNApSAcK
LSM-25618LINCS
Registry NumbersSources
Beilstein:262337Beilstein
CAS:482-27-9KEGG COMPOUND