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CHEBI:4771 - Elemicin

ChEBI IDCHEBI:4771
ChEBI NameElemicin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESC=CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
InChIKeyBPLQKQKXWHCZSS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Elemicin (CHEBI:4771) is a olefinic compound (CHEBI:78840)
Synonym  Source
ElemicinKEGG COMPOUND
Manual XrefsDatabases
C10451KEGG COMPOUND
C00002739KNApSAcK
HMDB0033778HMDB
Registry NumbersSources
CAS:487-11-6KEGG COMPOUND