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Stizolobinate
MNXM6442 is deprecated and here replaced by MNXM1108403
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1108403 |
 |
| reference | chebi:9275 |
| formula | C9H9NO6 |
| global charge | 0 |
| mol weight | 227.172 |
| InChIKey | GHFJNBYZGVNAOV-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H9NO6/c10-5(7(11)12)3-4-1-2-6(8(13)14)16-9(4)15/h1-2,5H,3,10H2,(H,11,12)(H,13,14) |
| SMILES | NC(CC1=CC=C(C(=O)O)OC1=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C9H9NO6/c10-5(7(11)12)3-4-1-2-6(8(13)14)16-9(4)15/h1-2,5H,3,10H2,(H,11,12)(H,13,14)/t5? |
 |
| SMILES (mnx) | [CH:1]1=[C:4]([CH2:3][CH:5]([C:7](=[O:11])[OH:12])[NH2:10])[C:9](=[O:15])[O:16][C:6]([C:8]([OH:13])=[O:14])=[CH:2]1 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:9275
chebi:9275
GHFJNBYZGVNAOV-UHFFFAOYSA-N
| Stizolobinate
|