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CHEBI:80748 - Valeranone

ChEBI IDCHEBI:80748
ChEBI NameValeranone
Stars
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILESCC(C)[C@H]1CC[C@@]2(C)CCCC(=O)[C@@]2(C)C1
InChIInChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1
InChIKeyHDVXJTYHXDVWQO-NWANDNLSSA-N
ChEBI Ontology
Outgoing Relation(s)
Valeranone (CHEBI:80748) is a sesquiterpenoid (CHEBI:26658)
Manual XrefsDatabases
C16813KEGG COMPOUND
Registry NumbersSources
CAS:55528-90-0KEGG COMPOUND