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

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(E)-caffeyl aldehyde

	Properties	Image
MNX_ID	MNXM4498
reference	chebi:28323
formula	C₉H₈O₃
global charge	0
mol weight	164.16
InChIKey	AXMVYSVVTMKQSL-OWOJBTEDSA-N
InChI	InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+
SMILES	O=C/C=C/C1=CC(O)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+
SMILES (mnx)	[CH:1](=[CH:2]/[C:7]1=[CH:6][C:9]([OH:12])=[C:8]([OH:11])[CH:4]=[CH:3]1)\[CH:5]=[O:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28323 chebi:28323 AXMVYSVVTMKQSL-OWOJBTEDSA-N	(E)-caffeyl aldehyde (2E)-3-(3,4-dihydroxyphenyl)acrylaldehyde (2E)-3-(3,4-dihydroxyphenyl)prop-2-enal (E)-3,4-dihydroxycinnamaldehyde 3,4-dihydroxycinnamaldehyde Caffeic aldehyde Caffeyl aldehyde trans-3,4-dihydroxycinnamaldehyde
sabiork.compound:13026 sabiorkM:13026 kegg.compound:C10945 keggC:C10945 AXMVYSVVTMKQSL-OWOJBTEDSA-N	Caffeic aldehyde 3,4-Dihydroxycinnamaldehyde Caffeyl aldehyde
vmhM:cfaldh vmhmetabolite:cfaldh AXMVYSVVTMKQSL-OWOJBTEDSA-N	Caffeyl aldehyde
seed.compound:cpd07830 seedM:cpd07830 AXMVYSVVTMKQSL-OWOJBTEDSA-N	Caffeyl aldehyde 3,4-Dihydroxycinnamaldehyde 3,4-dihydroxycinnamaldehyde Caffeic aldehyde caffealdehyde caffeic aldehyde
metacyc.compound:CPD-18120 metacycM:CPD-18120 AXMVYSVVTMKQSL-OWOJBTEDSA-N	caffealdehyde 3,4-dihydroxycinnamaldehyde caffeic aldehyde
chebi:22981 chebi:3294 chebi:75315 keggC:M_C10945 seedM:M_cpd07830 vmhM:M_cfaldh	secondary/obsolete/fantasy identifier