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

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furfural

	Properties	Image
MNX_ID	MNXM54039
reference	chebi:34768
formula	C₅H₄O₂
global charge	0
mol weight	96.085
InChIKey	HYBBIBNJHNGZAN-UHFFFAOYSA-N
InChI	InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
SMILES	O=CC1=CC=CO1

MNX internals

InChI (mnx)	InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
SMILES (mnx)	[CH:1]1=[CH:3][O:7][C:5]([CH:4]=[O:6])=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34768 chebi:34768 HYBBIBNJHNGZAN-UHFFFAOYSA-N	furfural 2-Formylfuran 2-Furaldehyde 2-Furanaldehyde 2-Furancarbonal 2-Furancarboxaldehyde 2-Furyl-methanal 2-Furylcarboxaldehyde Furaldehyde furan-2-carbaldehyde
hmdb:HMDB0032914 HYBBIBNJHNGZAN-UHFFFAOYSA-N	2-Furancarboxaldehyde 2-Formyl furan 2-Formylfuran 2-Formylofuran 2-Furaldehyde 2-Furaldehyde, 8ci 2-Furanaldehyde 2-Furancarbonal 2-Furancarboxyaldehyde 2-Furfural 2-Furfuraldehyde 2-Furyl-methanal 2-Furylaldehyde 2-Furylaldehyde xypropane 2-Furylcarboxaldehyde 2-Furylmethanal FEMA 2489 Fural Furaldehyde Furale Furan-2-aldehyde Furan-2-carbaldehyde Furan-2-carboxaldehyde Furancarbonal Furfural Furfuraldehyde Furfurale Furfuralu Furfurol Furfurole Furfurylaldehyde Furol Furole Furyl-methanal a-Furfuraldehyde a-Furole alpha-Furfuraldehyde alpha-Furole bran oil furan-2-carbaldehyde
envipath:...3675b2f456f7 envipathM:...3675b2f456f7 HYBBIBNJHNGZAN-UHFFFAOYSA-N	Furfural
sabiork.compound:21538 sabiorkM:21538 kegg.compound:C14279 keggC:C14279 HYBBIBNJHNGZAN-UHFFFAOYSA-N	Furfural 2-Furaldehyde
seed.compound:cpd09978 seedM:cpd09978 HYBBIBNJHNGZAN-UHFFFAOYSA-N	Furfural 2-Furaldehyde 2-furfuraldehyde furfural
envipath:...4b6de82161fb envipathM:...4b6de82161fb HYBBIBNJHNGZAN-UHFFFAOYSA-N	compound 0049061
metacyc.compound:CPD0-2357 metacycM:CPD0-2357 HYBBIBNJHNGZAN-UHFFFAOYSA-N	furfural
hmdb:HMDB32914 chebi:42593 keggC:M_C14279 seedM:M_cpd09978	secondary/obsolete/fantasy identifier