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

Feedback

4-isopropylbenzaldehyde

	Properties	Image
MNX_ID	MNXM5879
reference	chebi:28671
formula	C₁₀H₁₂O
global charge	0
mol weight	148.205
InChIKey	WTWBUQJHJGUZCY-UHFFFAOYSA-N
InChI	InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
SMILES	CC(C)C1=CC=C(C=O)C=C1

MNX internals

InChI (mnx)	InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
SMILES (mnx)	[CH3:1][CH:8]([CH3:2])[C:10]1=[CH:6][CH:4]=[C:9]([CH:7]=[O:11])[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28671 chebi:28671 WTWBUQJHJGUZCY-UHFFFAOYSA-N	4-isopropylbenzaldehyde 4-(propan-2-yl)benzaldehyde 4-Isopropylbenzaldehyde Cumaldehyde Cumic aldehyde Cuminic aldehyde Cuminyl aldehyde cuminaldehyde p-Cumic aldehyde p-Isopropylbenzaldehyde p-Isopropylbenzenecarboxaldehyde
kegg.compound:C06577 keggC:C06577 WTWBUQJHJGUZCY-UHFFFAOYSA-N	4-Isopropylbenzaldehyde Cuminaldehyde p-Cumic aldehyde
hmdb:HMDB0002214 WTWBUQJHJGUZCY-UHFFFAOYSA-N	Cuminaldehyde 4-(1-Methylethyl)benzaldehyde 4-(propan-2-yl)benzaldehyde 4-Isopropylbenzaldehyde 4-Isopropylbenzenecarboxylate Cumaldehyde Cumic aldehyde Cuminal Cuminal P-(1-methylethyl)benzaldehyde Cuminic aldehyde Cuminyl aldehyde P-Cuminic aldehyde P-Isopropyl-benzaldehyde cuminaldehyde p-Cumic aldehyde p-Isopropyl benzaldehyde p-Isopropylbenzaldehyde p-Isopropylbenzenecarboxaldehyde
seed.compound:cpd03984 seedM:cpd03984 WTWBUQJHJGUZCY-UHFFFAOYSA-N	Cuminaldehyde 4-Isopropylbenzaldehyde 4-isopropylbenzaldehyde cumaldehyde cuminal cuminaldehyde cuminic aldehyde p-Cumic aldehyde p-cumic aldehyde
envipath:...f6647b0e35dc envipathM:...f6647b0e35dc WTWBUQJHJGUZCY-UHFFFAOYSA-N	p-Cumic aldehyde
metacyc.compound:CPD-1003 metacycM:CPD-1003 WTWBUQJHJGUZCY-UHFFFAOYSA-N	p-cumic aldehyde 4-isopropylbenzaldehyde cumaldehyde cuminal cuminaldehyde cuminic aldehyde
hmdb:HMDB02214 chebi:10623 chebi:25824 keggC:M_C06577 seedM:M_cpd03984	secondary/obsolete/fantasy identifier