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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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(+/-)-2-Methyl-3-(2-methylphenyl)propanal
Properties
Image
MNX_ID
MNXM115581
reference
hmdb:HMDB0040245
formula
C
11
H
14
O
global charge
0
mol weight
162.232
InChIKey
PFTIYHYMOUKOHA-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9H,7H2,1-2H3
SMILES
CC1=CC=CC=C1CC(C)C=O
MNX internals
InChI (mnx)
InChI=1/C11H14O/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9H,7H2,1-2H3/t9?
SMILES (mnx)
[CH3:1][CH:9]([CH2:7][C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[C:10]1[CH3:2])[CH:8]=[O:12]
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
hmdb:HMDB0040245
PFTIYHYMOUKOHA-UHFFFAOYSA-N
(+/-)-2-Methyl-3-(2-methylphenyl)propanal
2-methyl-3-(2-methylphenyl)propanal
hmdb:HMDB40245
secondary/obsolete/fantasy identifier