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CHEBI:8213 - Pimpinellin

Default Structure
ChEBI IDCHEBI:8213
ChEBI NamePimpinellin
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC13H10O5
Net Charge0
Average Mass246.218
Monoisotopic Mass246.05282
SMILESCOc1c(OC)c2occc2c2oc(=O)ccc12
InChIInChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3
InChIKeyBQPRWZCEKZLBHL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pimpinellin (CHEBI:8213) is a furanocoumarin (CHEBI:24128)
Synonym  Source
PimpinellinKEGG COMPOUND
Manual XrefsDatabases
C00002493KNApSAcK
C09285KEGG COMPOUND
LSM-24980LINCS
Registry NumbersSources
CAS:131-12-4KEGG COMPOUND