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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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4-cyanobenzyl alcohol
Properties
Image
MNX_ID
MNXM164294
reference
chebi:156307
formula
C
8
H
7
NO
global charge
0
mol weight
133.15
InChIKey
XAASLEJRGFPHEV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
SMILES
N#CC1=CC=C(CO)C=C1
MNX internals
InChI (mnx)
InChI=1/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
SMILES (mnx)
[CH:1]1=[CH:3][C:8]([CH2:6][OH:10])=[CH:4][CH:2]=[C:7]1[C:5]#[N:9]
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:156307
chebi:156307
XAASLEJRGFPHEV-UHFFFAOYSA-N
4-cyanobenzyl alcohol
sabiork.compound:20085
sabiorkM:20085
XAASLEJRGFPHEV-UHFFFAOYSA-N
4-Cyanobenzyl alcohol