MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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compound 0056602
Properties
Image
MNX_ID
MNXM1175228
reference
envipathM:...0625d100f9a2
formula
C
12
H
6
Br
4
O
global charge
0
mol weight
485.795
InChIKey
COPAGYRSCJVION-UHFFFAOYSA-N
InChI
InChI=1S/C12H6Br4O/c13-8-5-4-7(6-11(8)16)17-12-9(14)2-1-3-10(12)15/h1-6H
SMILES
BrC1=CC=C(OC2=C(Br)C=CC=C2Br)C=C1Br
MNX internals
InChI (mnx)
InChI=1/C12H6Br4O/c13-8-5-4-7(6-11(8)16)17-12-9(14)2-1-3-10(12)15/h1-6H
SMILES (mnx)
[CH:1]1=[CH:2][C:9]([Br:14])=[C:12]([O:17][C:7]2=[CH:6][C:11]([Br:16])=[C:8]([Br:13])[CH:5]=[CH:4]2)[C:10]([Br:15])=[CH:3]1
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
envipath:...0625d100f9a2
envipathM:...0625d100f9a2
COPAGYRSCJVION-UHFFFAOYSA-N
compound 0056602