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

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benzaldehyde

	Properties	Image
MNX_ID	MNXM371
reference	chebi:17169
formula	C₇H₆O
global charge	0
mol weight	106.124
InChIKey	HUMNYLRZRPPJDN-UHFFFAOYSA-N
InChI	InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
SMILES	O=CC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:7]([CH:6]=[O:8])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	53
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-5696154 reactomeM:R-ALL-5696154 CHEBI:17169 chebi:17169 HUMNYLRZRPPJDN-UHFFFAOYSA-N	benzaldehyde Artificial almond oil Benzaldehyde Benzanoaldehyde Benzene carbaldehyde Benzene carboxaldehyde Benzenecarbonal Benzenecarboxaldehyde Benzenemethylal Benzoic acid aldehyde Benzoic aldehyde Benzylaldehyde Ethereal oil of bitter almonds Phenylformaldehyde Phenylmethanal Synthetic oil of bitter almond
seed.compound:cpd11631 seedM:cpd11631 kegg.compound:C00193 keggC:C00193 HUMNYLRZRPPJDN-UHFFFAOYSA-N	Aromatic aldehyde
bigg.metabolite:bzal biggM:bzal envipath:...081f6ab77d27 envipathM:...081f6ab77d27 HUMNYLRZRPPJDN-UHFFFAOYSA-N	Benzaldehyde
kegg.drug:D02314 keggD:D02314 HUMNYLRZRPPJDN-UHFFFAOYSA-N	Benzaldehyde (NF)
hmdb:HMDB0006115 HUMNYLRZRPPJDN-UHFFFAOYSA-N	Benzaldehyde Almond artificial essential oil Artificial almond oil Artificial bitter almond oil Artificial essential oil OF almond BEZ Benzadehyde Benzaldehyde FFC Benzaldehyde, formyl-(14)C-labeled Benzanoaldehyde Benzene carbaldehyde Benzene carboxaldehyde Benzene methylal Benzenecarbonal Benzenecarboxaldehyde Benzenemethylal Benzoate Benzoate aldehyde Benzoic acid Benzoic acid aldehyde Benzoic aldehyde Benzoyl hydride Benzyaldehyde Benzylaldehyde Caswell no. 076 Ethereal oil OF bitter almonds FEMA no. 2127 Oil OF bitter almond Phenylformaldehyde Phenylmethanal Phenylmethanal benzenecarboxaldehyde Synthetic oil OF bitter almond benzaldehyde
seed.compound:cpd00225 seedM:cpd00225 HUMNYLRZRPPJDN-UHFFFAOYSA-N	Benzaldehyde Aromatic aldehyde Benzoic aldehyde benzaldehyde benzanoaldehyde bzal
sabiork.compound:2000 sabiorkM:2000 HUMNYLRZRPPJDN-UHFFFAOYSA-N	Benzaldehyde Benzaldehyd Benzoic aldehyde
kegg.compound:C00261 keggC:C00261 HUMNYLRZRPPJDN-UHFFFAOYSA-N	Benzaldehyde Benzoic aldehyde
vmhM:bzal vmhmetabolite:bzal HUMNYLRZRPPJDN-UHFFFAOYSA-N	Benzaldehyde benzaldehyde
metacyc.compound:BENZALDEHYDE metacycM:BENZALDEHYDE HUMNYLRZRPPJDN-UHFFFAOYSA-N	benzaldehyde benzanoaldehyde
envipath:...8838dd917f6b envipathM:...8838dd917f6b HUMNYLRZRPPJDN-UHFFFAOYSA-N	compound 0042669
hmdb:HMDB06115 chebi:13875 chebi:22697 chebi:3019 biggM:M_bzal keggC:M_C00193 keggC:M_C00261 keggD:M_D02314 seedM:M_cpd00225 seedM:M_cpd11631 vmhM:M_bzal	secondary/obsolete/fantasy identifier