β-ionone
Chemical Formula:
C13H20O
Molecular Weight:
192.3 Daltons
Monoisotopic Mass:
192.1514152641 Daltons
SMILES:
CC1(CCCC(C=1C=CC(=O)C)(C)C)
InChI:
1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey:
Synonyms
- 9-apo-β-caroten-9-one
- (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
Databases
MetaCyc:
CPD-7204
HMDB:
HMDB36565
ChemSpider:
553581
PubChem (CID):
638014
ChEBI:
32325
KEGG:
C12287
RefMet:
beta-Ionone
Reactome:
5164390
Seed:
cpd09060
MetaNetX:
MNXM5073