Search MNXref
 Feedback

3-isopropenyl-6-oxoheptanoate

PropertiesImage
MNX_IDMNXM6091 Image of MNXM6091
referencechebi:64234
formulaC10H15O3
global charge-1
mol weight183.227
InChIKeyNJOIWWRMLFSDTM-UHFFFAOYSA-M
InChIInChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/p-1
SMILESC=C(C)C(CCC(C)=O)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9? Image of MNXM6091
SMILES (mnx)[CH2:1]=[C:7]([CH3:2])[CH:9]([CH2:5][CH2:4][C:8]([CH3:3])=[O:11])[CH2:6][C:10](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64234
chebi:64234
NJOIWWRMLFSDTM-UHFFFAOYSA-M 		3-isopropenyl-6-oxoheptanoate
6-oxo-3-(prop-1-en-2-yl)heptanoate

sabiork.compound:27659
sabiorkM:27659
NJOIWWRMLFSDTM-UHFFFAOYSA-M 		3-Isopropenyl-6-oxoheptanoate

seed.compound:cpd22025
seedM:cpd22025
NJOIWWRMLFSDTM-UHFFFAOYSA-M 		3-Isopropenyl-6-oxoheptanoates

CHEBI:64264
chebi:64264
NJOIWWRMLFSDTM-UHFFFAOYSA-N 		3-isopropenyl-6-oxoheptanoic acid
6-oxo-3-(prop-1-en-2-yl)heptanoic acid
limononic acid

metacyc.compound:3-Isopropenyl-6-oxoheptanoates
metacycM:3-Isopropenyl-6-oxoheptanoates
NJOIWWRMLFSDTM-UHFFFAOYSA-M 		a 3-isopropenyl-6-oxoheptanoate

seedM:M_cpd22025 		secondary/obsolete/fantasy identifier