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

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(E)-4-coumaraldehyde

	Properties	Image
MNX_ID	MNXM4534
reference	chebi:28353
formula	C₉H₈O₂
global charge	0
mol weight	148.161
InChIKey	CJXMVKYNVIGQBS-OWOJBTEDSA-N
InChI	InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+
SMILES	O=C/C=C/C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+
SMILES (mnx)	[CH:1](=[CH:2]/[C:8]1=[CH:4][CH:6]=[C:9]([OH:11])[CH:5]=[CH:3]1)\[CH:7]=[O:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28353 chebi:28353 CJXMVKYNVIGQBS-OWOJBTEDSA-N	(E)-4-coumaraldehyde (2E)-3-(4-hydroxyphenyl)acrylaldehyde (2E)-3-(4-hydroxyphenyl)prop-2-enal 4-Hydroxycinnamyl aldehyde 4-hydroxycinnamaldehyde p-Coumaraldehyde p-hydroxycinnamaldehyde trans-4-hydroxycinnamaldehyde trans-p-Hydroxycinnamaldehyde
vmhM:4hcnmylaldh vmhmetabolite:4hcnmylaldh CJXMVKYNVIGQBS-OWOJBTEDSA-N	4-Hydroxycinnamyl aldehyde (2E)-3-(4-hydroxyphenyl)prop-2-enal
kegg.compound:C05608 keggC:C05608 CJXMVKYNVIGQBS-OWOJBTEDSA-N	4-Hydroxycinnamyl aldehyde p-Coumaraldehyde
sabiork.compound:8008 sabiorkM:8008 CJXMVKYNVIGQBS-OWOJBTEDSA-N	4-Hydroxycinnamyl aldehyde p-Coumaraldehyde p-Coumaryl aldehyde
metacyc.compound:COUMARALDEHYDE metacycM:COUMARALDEHYDE CJXMVKYNVIGQBS-OWOJBTEDSA-N	4-coumaraldehyde coumaraldehyde p-coumaraldehyde
hmdb:HMDB0040986 CJXMVKYNVIGQBS-OWOJBTEDSA-N	p-Coumaraldehyde (2E)-3-(4-Hydroxyphenyl)-2-propenal (2E)-3-(4-Hydroxyphenyl)acrylaldehyde (2E)-3-(4-hydroxyphenyl)prop-2-enal (E)-3-(4-Hydroxyphenyl)-2-propenal (E)-3-(4-Hydroxyphenyl)acrylaldehyde (E)-p-Hydroxycinnamaldehyde (e)-4-Coumaraldehyde 3-(4-Hydroxyphenyl)-2-propenal 4-Coumaraldehyde 4-Hydroxycinnamaldehyde 4-Hydroxycinnamyl aldehyde Coumaraldehyde Hydroxycinnamaldehyde p-Coumaroyl aldehyde p-Hydroxycinnamaldehyde p-coumaraldehyde trans-4-Hydroxycinnamaldehyde trans-p-Coumaraldehyde trans-p-Hydroxycinnamaldehyde
seed.compound:cpd03332 seedM:cpd03332 CJXMVKYNVIGQBS-OWOJBTEDSA-N	p-Coumaraldehyde 4-Hydroxycinnamyl aldehyde 4-coumaraldehyde coumaraldehyde p-coumaraldehyde
hmdb:HMDB40986 chebi:1863 chebi:20407 chebi:75313 keggC:M_C05608 seedM:M_cpd03332 vmhM:M_4hcnmylaldh	secondary/obsolete/fantasy identifier