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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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4-Bromobenzoylformate
Properties
Image
Occurences in reactions
MNX_ID
MNXM166324
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
8
H
5
BrO
3
charge
0
mass
227.94221
reference
sabiorkM:20798
InChIKey
UASZGGQRDGLTIQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
SMILES
O=C(O)C(=O)c1ccc(Br)cc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
sabiork.compound:20798
sabiorkM:20798
4-Bromobenzoylformate
(4-Bromophenyl)(oxo)acetic acid