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betanidin
MNXM44204 is deprecated and here replaced by MNXM736187
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM736187 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C18H16N2O8 |
| charge | 0 |
| mass | 388.09067 |
| reference | chebi:3079 |
| InChIKey | BBJUSJOGHYQDQX-AAEUAGOBSA-N |
| InChI | InChI=1S/C18H16N2O8/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/h1-3,6-7,11,13,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/t11-,13-/m0/s1 |
| SMILES | O=C(O)C1=N[C@H](C(=O)O)CC(C=CN2c3cc(O)c(O)cc3C[C@H]2C(=O)O)=C1 |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:3079
chebi:3079
| betanidin
(1E,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1H-indolium-2-carboxylate
(2S)-4-{2-[(2S)-2-carboxy-5,6-dihydroxy-2,3-dihydro-1H-indol-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-
Betanidin
|
