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5-chlorocarbonyl-2-hydroxy-penta-2,4-dienate
MNXM10297 is deprecated and here replaced by MNXM726120
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM726120 |
 |
| reference | metacycM:CPD-11210 |
| formula | C6H4ClO4 |
| global charge | -1 |
| mol weight | 175.547 |
| InChIKey | CYWRXIILQMXSGY-TZFCGSKZSA-M |
| InChI | InChI=1S/C6H5ClO4/c7-5(9)3-1-2-4(8)6(10)11/h1-3,8H,(H,10,11)/p-1/b3-1+,4-2- |
| SMILES | O=C(Cl)/C=C/C=C(\O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C6H5ClO4/c7-5(9)3-1-2-4(8)6(10)11/h1-3,8H,(H,10,11)/b3-1+,4-2- |
 |
| SMILES (mnx) | [CH:1](/[CH:2]=[C:4](/[C:6](=[O:10])[OH:11])[OH:8])=[CH:3]\[C:5]([Cl:7])=[O:9] |
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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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