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CHEBI:5640 - Heliettin

ChEBI IDCHEBI:5640
ChEBI NameHeliettin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H22O4
Net Charge0
Average Mass314.381
Monoisotopic Mass314.15181
SMILESC=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)O)C3
InChIInChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3
InChIKeyJCDLLLXYAICSQV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Heliettin (CHEBI:5640) is a furanocoumarin (CHEBI:24128)
Synonym  Source
HeliettinKEGG COMPOUND
Manual XrefsDatabases
C09267KEGG COMPOUND
C00002475KNApSAcK
HMDB0130287HMDB
Registry NumbersSources
CAS:33054-89-6KEGG COMPOUND