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

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(E)-cinnamyl acetate

MNXM46840 is deprecated and here replaced by MNXM1108245
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1108245
reference	chebi:156069
formula	C₁₁H₁₂O₂
global charge	0
mol weight	176.215
InChIKey	WJSDHUCWMSHDCR-VMPITWQZSA-N
InChI	InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
SMILES	CC(=O)OC/C=C/C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
SMILES (mnx)	[CH3:1][C:10](=[O:12])[O:13][CH2:9]/[CH:5]=[CH:8]/[C:11]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:156069 chebi:156069 WJSDHUCWMSHDCR-VMPITWQZSA-N	(E)-cinnamyl acetate trans-cinnamyl acetate
seed.compound:cpd09071 seedM:cpd09071 WJSDHUCWMSHDCR-VMPITWQZSA-N	Cinnamyl acetate (2E)-3-phenyl-2-propen-1-yl acetate (2E)-3-phenyl-2-propenyl acetate (2E)-3-phenylprop-2-en-1-yl acetate 3-Phenyl-2-propenyl acetate cinnamyl acetate
kegg.compound:C12299 keggC:C12299 WJSDHUCWMSHDCR-VMPITWQZSA-N	Cinnamyl acetate 3-Phenyl-2-propenyl acetate
metacyc.compound:CPD-15316 metacycM:CPD-15316 WJSDHUCWMSHDCR-VMPITWQZSA-N	cinnamyl acetate (2E)-3-phenyl-2-propen-1-yl acetate (2E)-3-phenyl-2-propenyl acetate (2E)-3-phenylprop-2-en-1-yl acetate
keggC:M_C12299 seedM:M_cpd09071	secondary/obsolete/fantasy identifier