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

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(E)-coniferyl acetate

	Properties	Image
MNX_ID	MNXM2997
reference	chebi:47905
formula	C₁₂H₁₄O₄
global charge	0
mol weight	222.24
InChIKey	XLZFUNZRKIQHOL-ONEGZZNKSA-N
InChI	InChI=1S/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3/b4-3+
SMILES	COC1=CC(/C=C/COC(C)=O)=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3/b4-3+
SMILES (mnx)	[CH3:1][C:9](=[O:13])[O:16][CH2:7]/[CH:3]=[CH:4]/[C:10]1=[CH:8][C:12]([O:15][CH3:2])=[C:11]([OH:14])[CH:6]=[CH:5]1

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
Identifier	Description
CHEBI:47905 chebi:47905 XLZFUNZRKIQHOL-ONEGZZNKSA-N	(E)-coniferyl acetate (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl acetate coniferyl acetate coniferyl-9-O-acetate
sabiork.compound:27929 sabiorkM:27929 kegg.compound:C20225 keggC:C20225 XLZFUNZRKIQHOL-ONEGZZNKSA-N	Coniferyl acetate
seed.compound:cpd21458 seedM:cpd21458 XLZFUNZRKIQHOL-ONEGZZNKSA-N	Coniferyl acetate coniferyl acetate
metacyc.compound:CPD-9875 metacycM:CPD-9875 XLZFUNZRKIQHOL-ONEGZZNKSA-N	coniferyl acetate
keggC:M_C20225 seedM:M_cpd21458	secondary/obsolete/fantasy identifier