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CHEBI:9860 - Umbellulone

Default Structure
ChEBI IDCHEBI:9860
ChEBI NameUmbellulone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILES[H][C@@]12C[C@]1(C(C)C)C(=O)C=C2C
InChIInChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3/t8-,10+/m0/s1
InChIKeyLTTVJAQLCIHAFV-WCBMZHEXSA-N
ChEBI Ontology
Outgoing Relation(s)
Umbellulone (CHEBI:9860) is a ketone (CHEBI:17087)
Synonyms  Source
(-)-UmbelluloneKEGG COMPOUND
UmbelluloneKEGG COMPOUND
Manual XrefsDatabases
C00003066KNApSAcK
C00011054KNApSAcK
C09911KEGG COMPOUND
Registry NumbersSources
CAS:24545-81-1KEGG COMPOUND
CAS:546-78-1KEGG COMPOUND