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deoxyviolaceinate
MNXM97503 is deprecated and here replaced by MNXM1372603
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1372603 |
 |
| reference | chebi:90910 |
| formula | C21H14N3O3 |
| global charge | -1 |
| mol weight | 356.361 |
| InChIKey | YNGCGCMGWQFYIK-UHFFFAOYSA-M |
| InChI | InChI=1S/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27)/p-1 |
| SMILES | O=C([O-])C1=C(C2=C(O)NC3=C2C=CC=C3)C=C(C2=CNC3=C2C=CC=C3)N1 |
MNX internals
| InChI (mnx) | InChI=1/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27) |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:15]2[C:11](=[CH:5]1)[C:14]([C:17]1=[CH:9][C:13]([C:18]3=[C:20]([OH:25])[NH:24][C:16]4=[CH:8][CH:4]=[CH:2][CH:6]=[C:12]43)=[C:19]([C:21]([OH:26])=[O:27])[NH:23]1)=[CH:10][NH:22]2 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 4 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:90910
chebi:90910
YNGCGCMGWQFYIK-UHFFFAOYSA-M
| deoxyviolaceinate
3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
|
kegg.compound:C21132
keggC:C21132
YNGCGCMGWQFYIK-UHFFFAOYSA-N
| Deoxyviolaceinic acid
Deoxyviolaceinate
|
metacyc.compound:CPD-14323
metacycM:CPD-14323
YNGCGCMGWQFYIK-UHFFFAOYSA-M
| deoxyviolaceinate
deoxyviolaceinic acid
|
CHEBI:90909
chebi:90909
YNGCGCMGWQFYIK-UHFFFAOYSA-N
| deoxyviolaceinic acid
3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
|
keggC:M_C21132
| secondary/obsolete/fantasy identifier
|