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CHEBI:5676 - Heritonin

ChEBI IDCHEBI:5676
ChEBI NameHeritonin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H18O3
Net Charge0
Average Mass258.317
Monoisotopic Mass258.12559
SMILES[H][C@]12C[C@@H](C)c3cc(OC)c(C)cc3C1=C(C)C(=O)O2
InChIInChI=1S/C16H18O3/c1-8-6-14-15(10(3)16(17)19-14)12-5-9(2)13(18-4)7-11(8)12/h5,7-8,14H,6H2,1-4H3/t8-,14+/m1/s1
InChIKeyCEVWVTGBJBHAMO-CLAHSXSESA-N
ChEBI Ontology
Outgoing Relation(s)
Heritonin (CHEBI:5676) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
HeritoninKEGG COMPOUND
Manual XrefsDatabases
C09936KEGG COMPOUND
C00002995KNApSAcK
Registry NumbersSources
CAS:123914-48-7KEGG COMPOUND