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(2Z,4E)-2-hydroxy-6-oxo-(4-bromophenoxy)-hexa-2,4-dienoate
MNXM163962 is deprecated and here replaced by MNXM1368554
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368554 |
 |
| reference | metacycM:CPD-18750 |
| formula | C12H8BrO5 |
| global charge | -1 |
| mol weight | 312.095 |
| InChIKey | BJPLOSJNYFOVTL-PGSNLPAFSA-M |
| InChI | InChI=1S/C12H9BrO5/c13-8-4-6-9(7-5-8)18-11(15)3-1-2-10(14)12(16)17/h1-7,14H,(H,16,17)/p-1/b3-1+,10-2- |
| SMILES | O=C(/C=C/C=C(\O)C(=O)[O-])OC1=CC=C(Br)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C12H9BrO5/c13-8-4-6-9(7-5-8)18-11(15)3-1-2-10(14)12(16)17/h1-7,14H,(H,16,17)/b3-1+,10-2- |
 |
| SMILES (mnx) | [CH:1](/[CH:2]=[C:10](/[C:12](=[O:16])[OH:17])[OH:14])=[CH:3]\[C:11](=[O:15])[O:18][C:9]1=[CH:7][CH:5]=[C:8]([Br:13])[CH:4]=[CH:6]1 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
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