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2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate
MNXM722931 is deprecated and here replaced by MNXM1364760
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM1364760 |
 |
| reference | chebi:80407 |
| formula | C13H10O6 |
| global charge | 0 |
| mol weight | 262.217 |
| InChIKey | LROHOEZLJWAKQY-TZFLZTJBSA-N |
| InChI | InChI=1S/C13H10O6/c14-10(6-3-7-11(15)13(18)19)8-4-1-2-5-9(8)12(16)17/h1-7,15H,(H,16,17)(H,18,19)/b6-3-,11-7+ |
| SMILES | O=C(O)C1=C(C(=O)/C=C\C=C(\O)C(=O)O)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C13H10O6/c14-10(6-3-7-11(15)13(18)19)8-4-1-2-5-9(8)12(16)17/h1-7,15H,(H,16,17)(H,18,19)/b6-3-,11-7+ |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:9]([C:12](=[O:16])[OH:17])[C:8]([C:10](/[CH:6]=[CH:3]\[CH:7]=[C:11](/[C:13](=[O:18])[OH:19])[OH:15])=[O:14])=[CH:4]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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