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4-carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate
MNXM6106 is deprecated and here replaced by MNXM1371958
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1371958 |
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| reference | metacycM:CPD-13530 |
| formula | C8H6O7 |
| global charge | -2 |
| mol weight | 214.129 |
| InChIKey | GMSSRLGBUSZBFV-DSLBBWRCSA-L |
| InChI | InChI=1S/C8H8O7/c1-15-6(10)3-4(7(11)12)2-5(9)8(13)14/h2-3,9H,1H3,(H,11,12)(H,13,14)/p-2/b4-3-,5-2- |
| SMILES | COC(=O)/C=C(/C=C(\O)C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C8H8O7/c1-15-6(10)3-4(7(11)12)2-5(9)8(13)14/h2-3,9H,1H3,(H,11,12)(H,13,14)/b4-3-,5-2- |
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| SMILES (mnx) | [CH3:1][O:15][C:6](/[CH:3]=[C:4](/[CH:2]=[C:5](/[C:8](=[O:13])[OH:14])[OH:9])[C:7](=[O:11])[OH:12])=[O:10] |
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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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Similar chemical compounds in external resources
| Identifier | Description |
|---|
metacyc.compound:CPD-13530
metacycM:CPD-13530
GMSSRLGBUSZBFV-DSLBBWRCSA-L
| 4-carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate
(2Z,4Z)-2-hydroxy-4-(2-methoxy-2-oxoethylidene)pent-2-enedioate
CHMOD
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