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3,7-Bisaboladiene-2,8-dione

PropertiesImage
MNX_IDMNXM117286 Image of MNXM117286
referencechebi:196133
formulaC15H22O2
global charge0
mol weight234.339
InChIKeyKXTCYNARSLCXMW-WQLSENKSSA-N
InChIInChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5,8,10,13H,6-7,9H2,1-4H3/b12-8-
SMILESCC1=CCC(/C(C)=C\C(=O)CC(C)C)CC1=O
MNX internals
InChI (mnx)InChI=1/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5,8,10,13H,6-7,9H2,1-4H3/b12-8-/t13? Image of MNXM117286
SMILES (mnx)[CH3:1][CH:10]([CH3:2])[CH2:7][C:14](/[CH:8]=[C:12](/[CH3:4])[CH:13]1[CH2:6][CH:5]=[C:11]([CH3:3])[C:15](=[O:17])[CH2:9]1)=[O:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:196133
chebi:196133
KXTCYNARSLCXMW-WQLSENKSSA-N 		3,7-Bisaboladiene-2,8-dione
2-methyl-5-[(Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one
hmdb:HMDB0038198
KXTCYNARSLCXMW-WQLSENKSSA-N 		3,7-Bisaboladiene-2,8-dione
(e)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one
10,11-dihydro-6-Oxoatlantone
2-methyl-5-[(2Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one

hmdb:HMDB38198 		secondary/obsolete/fantasy identifier