MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

linalyl acetate

	Properties	Image
MNX_ID	MNXM60144
reference	chebi:6469
formula	C₁₂H₂₀O₂
global charge	0
mol weight	196.29
InChIKey	UWKAYLJWKGQEPM-LBPRGKRZSA-N
InChI	InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1
SMILES	C=C[C@@](C)(CCC=C(C)C)OC(C)=O

MNX internals

InChI (mnx)	InChI=1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1
SMILES (mnx)	[CH2:1]=[CH:6][C@@:12]([CH3:5])([CH2:9][CH2:7][CH:8]=[C:10]([CH3:2])[CH3:3])[O:14][C:11]([CH3:4])=[O:13]

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
Identifier	Description
CHEBI:6469 chebi:6469 UWKAYLJWKGQEPM-LBPRGKRZSA-N	linalyl acetate (+-)-3,7-dimethylocta-1,6-dien-3-yl acetate Acetic acid linalool ester Bergamiol Bergamot mint oil rac-3,7-dimethylocta-1,6-dien-3-yl acetate
hmdb:HMDB0302749 UWKAYLJWKGQEPM-LBPRGKRZSA-N	(-)-Linalyl acetate (+-)-3,7-Dimethylocta-1,6-dien-3-yl acetate (+-)-3,7-Dimethylocta-1,6-dien-3-yl acetic acid (+-)-linalyl acetate (+/-)-Linaloyl acetate (+/-)-Linalyl acetate (-)-(R)-3-Acetoxy-3,7-dimethylocta-1,6-diene (-)-Linalyl acetic acid (3R)-3,7-dimethylocta-1,6-dien-3-yl acetate (R)-Linalyl acetic acid 1,5-Dimethyl-1-vinyl-4-hexenyl acetate 3,7-Dimethyl-1,6-octadien-3-yl acetate 3,7-Dimethylocta-1,6-dien-3-yl acetate 3-Acetoxy-3,7-dimethyl-1,6-octadiene Acetate linalool ester Acetic acid linalool ester Bergamiol Bergamol Bergamot mint oil Linalool acetate Linalyl acetic acid R-(-)-Linalyl acetate R-Linalyl acetate dl-Linalool acetate l-Linalyl acetate
CHEBI:78334 chebi:78334 UWKAYLJWKGQEPM-LBPRGKRZSA-N	(R)-linalyl acetate (-)-linalyl acetate (3R)-3,7-dimethylocta-1,6-dien-3-yl acetate
seed.compound:cpd06753 seedM:cpd06753 kegg.compound:C09863 keggC:C09863 lipidmaps:LMPR0102010009 lipidmapsM:LMPR0102010009 UWKAYLJWKGQEPM-LBPRGKRZSA-N	Linalyl acetate
keggC:M_C09863 seedM:M_cpd06753	secondary/obsolete/fantasy identifier