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betanidin quinone(2-)
MNXM16347 is deprecated and here replaced by MNXM730729
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM730729 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C18H12N2O8 |
| charge | -2 |
| mass | 384.06046 |
| reference | chebi:140727 |
| InChIKey | WAVPHGICHZOYMQ-WODDMCJRSA-L |
| InChI | InChI=1S/C18H14N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/p-2/b2-1+/t11-,13-/m0/s1 |
| SMILES | O=C([O-])C1=[NH+][C@H](C(=O)[O-])CC(/C=C/N2C3=CC(=O)C(=O)C=C3C[C@H]2C(=O)[O-])=C1 |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:140727
chebi:140727
| betanidin quinone(2-)
|
CHEBI:133394
chebi:133394
| betanidin quinone
(2S)-4-{2-[(2S)-2-carboxy-5,6-dioxo-2,3,5,6-tetrahydro-1H-indol-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
betanidin o-quinone
|
