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

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(E)-coniferaldehyde

	Properties	Image
MNX_ID	MNXM858
reference	chebi:16547
formula	C₁₀H₁₀O₃
global charge	0
mol weight	178.187
InChIKey	DKZBBWMURDFHNE-NSCUHMNNSA-N
InChI	InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
SMILES	COC1=CC(/C=C/C=O)=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
SMILES (mnx)	[CH3:1][O:13][C:10]1=[C:9]([OH:12])[CH:5]=[CH:4][C:8](/[CH:3]=[CH:2]/[CH:6]=[O:11])=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	11

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16547 chebi:16547 DKZBBWMURDFHNE-NSCUHMNNSA-N	(E)-coniferaldehyde 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal 4-Hydroxy-3-methoxycinnamaldehyde 4-hydroxy-3-methoxycinnamaldehyde Coniferaldehyde Coniferyl aldehyde Ferulaldehyde coniferyl aldehyde
vmhM:cfral vmhmetabolite:cfral DKZBBWMURDFHNE-NSCUHMNNSA-N	Coniferaldehyde
hmdb:HMDB0141782 DKZBBWMURDFHNE-NSCUHMNNSA-N	Coniferaldehyde (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenal (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal (2E)-4-Hydroxy-3-methoxycinnamaldehyde (e)-3-(4-Hydroxy-3-methoxyphenyl)acrylaldehyde (e)-3-(4-Hydroxy-m-methoxyphenyl)prop-2-enal (e)-Coniferaldehyde (e)-Coniferyl aldehyde (e)-Ferulaldehyde 2-Methoxy-4-(3-oxo-1-propenyl)phenol 3-(4-Hydroxy-3-methoxyphenyl)-2-propenal 3-(4-Hydroxy-3-methoxyphenyl)acrolein 3-(4-Hydroxy-3-methoxyphenyl)propenal 3-Methoxy-4-hydroxycinnamaldehyde 4-HM-CA 4-Hydroxy-3-methoxy-trans-cinnamaldehyde 4-Hydroxy-3-methoxycinnamaldehyde 4-Hydroxy-3-methoxyzimtaldehyde Coniferaldehyde, (e)-isomer Coniferyl aldehyde Coniferylaldehyde Ferulaldehyde Ferulic aldehyde Ferulyl aldehyde coniferaldehyde e-Coniferyl aldehyde p-Coniferaldehyde trans-Coniferaldehyde trans-Coniferyl aldehyde trans-Ferulaldehyde
sabiork.compound:2482 sabiorkM:2482 DKZBBWMURDFHNE-NSCUHMNNSA-N	Coniferaldehyde 4-Hydroxy-3-methoxycinnamaldehyde Coniferyl aldehyde Ferulaldehyde
bigg.metabolite:conialdh biggM:conialdh	Coniferyl aldehyde
kegg.compound:C02666 keggC:C02666 DKZBBWMURDFHNE-NSCUHMNNSA-N	Coniferyl aldehyde 4-Hydroxy-3-methoxycinnamaldehyde Coniferaldehyde Ferulaldehyde
seed.compound:cpd01733 seedM:cpd01733 DKZBBWMURDFHNE-NSCUHMNNSA-N	Ferulaldehyde 4-Hydroxy-3-methoxycinnamaldehyde 4-hydroxy-3-methoxycinnamaldehyde 4-hydroxy-3-methoxycinnamic aldehyde Coniferaldehyde Coniferyl aldehyde confald coniferaldehyde coniferyl aldehyde
metacyc.compound:CONIFERYL-ALDEHYDE metacycM:CONIFERYL-ALDEHYDE DKZBBWMURDFHNE-NSCUHMNNSA-N	coniferaldehyde 4-hydroxy-3-methoxycinnamaldehyde 4-hydroxy-3-methoxycinnamic aldehyde coniferyl aldehyde
chebi:14018 chebi:23372 chebi:3859 biggM:M_conialdh keggC:M_C02666 seedM:M_cpd01733 vmhM:M_cfral	secondary/obsolete/fantasy identifier