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CHEBI:3572 - Chalepensin

ChEBI IDCHEBI:3572
ChEBI NameChalepensin
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC16H14O3
Net Charge0
Average Mass254.285
Monoisotopic Mass254.09429
SMILESC=CC(C)(C)c1cc2cc3ccoc3cc2oc1=O
InChIInChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
InChIKeyFYCCCUNGXGKNJV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Chalepensin (CHEBI:3572) is a furanocoumarin (CHEBI:24128)
Synonyms  Source
ChalepensinKEGG COMPOUND
3-(alpha,alpha-Dimethylallyl)psoralenKEGG COMPOUND
Manual XrefsDatabases
C09165KEGG COMPOUND
C00002456KNApSAcK
LSM-20688LINCS
Registry NumbersSources
CAS:13164-03-9KEGG COMPOUND