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

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2-naphthaldehyde

	Properties	Image
MNX_ID	MNXM4972
reference	chebi:52368
formula	C₁₁H₈O
global charge	0
mol weight	156.184
InChIKey	PJKVFARRVXDXAD-UHFFFAOYSA-N
InChI	InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
SMILES	O=CC1=CC2=CC=CC=C2C=C1

MNX internals

InChI (mnx)	InChI=1/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:11]2[CH:7]=[C:9]([CH:8]=[O:12])[CH:5]=[CH:6][C:10]2=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:52368 chebi:52368 PJKVFARRVXDXAD-UHFFFAOYSA-N	2-naphthaldehyde 2-Formylnaphthalene 2-Naphthaldehyde 2-Naphthalenecarboxaldehyde beta-formylnaphthalene beta-naphthaldehyde naphthalene-2-carbaldehyde
envipath:...86a3a518fb0d envipathM:...86a3a518fb0d PJKVFARRVXDXAD-UHFFFAOYSA-N	2-Naphthaldehyde
hmdb:HMDB0060349 PJKVFARRVXDXAD-UHFFFAOYSA-N	2-Naphthaldehyde 2-Formylnaphthalene 2-Naphthalenecarboxaldehyde 2-naphthaldehyde b-Formylnaphthalene b-Naphthaldehyde beta-Formylnaphthalene beta-Naphthaldehyde beta-formylnaphthalene beta-naphthaldehyde naphthalene-2-carbaldehyde
seed.compound:cpd09802 seedM:cpd09802 sabiork.compound:20673 sabiorkM:20673 kegg.compound:C14099 keggC:C14099 PJKVFARRVXDXAD-UHFFFAOYSA-N	2-Naphthaldehyde 2-Naphthalenecarboxaldehyde
vmhM:2naldh vmhmetabolite:2naldh PJKVFARRVXDXAD-UHFFFAOYSA-N	2-Naphthaldehyde naphthalene-2-carbaldehyde
hmdb:HMDB60349 chebi:19721 chebi:34298 keggC:M_C14099 seedM:M_cpd09802 vmhM:M_2naldh	secondary/obsolete/fantasy identifier