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CHEBI:8916 - Ruspolinone

ChEBI IDCHEBI:8916
ChEBI NameRuspolinone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H19NO3
Net Charge0
Average Mass249.310
Monoisotopic Mass249.13649
SMILES[H]C1(CC(=O)c2ccc(OC)c(OC)c2)CCCN1
InChIInChI=1S/C14H19NO3/c1-17-13-6-5-10(8-14(13)18-2)12(16)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyTYXKSMFICLVQCO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ruspolinone (CHEBI:8916) is a acetophenones (CHEBI:22187)
Synonym  Source
RuspolinoneKEGG COMPOUND
Manual XrefsDatabases
C10169KEGG COMPOUND
C00002070KNApSAcK
Registry NumbersSources
CAS:60890-27-9KEGG COMPOUND