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Glandicoline A
MNXM148263 is deprecated and here replaced by MNXM1363672
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1363672 |
 |
| reference | keggC:C22166 |
| formula | C22H21N5O3 |
| global charge | 0 |
| mol weight | 403.442 |
| InChIKey | IQKCBJLWCVXJOG-CXUHLZMHSA-N |
| InChI | InChI=1S/C22H21N5O3/c1-4-20(2,3)21-10-17(28)19(30)27-16(9-13-11-23-12-24-13)18(29)26-22(21,27)25-15-8-6-5-7-14(15)21/h4-12,25,28H,1H2,2-3H3,(H,23,24)(H,26,29)/b16-9+ |
| SMILES | C=CC(C)(C)C12C=C(O)C(=O)N3/C(=C\C4=CNC=N4)C(=O)NC31NC1=CC=CC=C12 |
MNX internals
| InChI (mnx) | InChI=1/C22H21N5O3/c1-4-20(2,3)21-10-17(28)19(30)27-16(9-13-11-23-12-24-13)18(29)26-22(21,27)25-15-8-6-5-7-14(15)21/h4-12,25,28H,1H2,2-3H3,(H,23,24)(H,26,29)/b16-9+/t21?,22? |
 |
| SMILES (mnx) | [CH2:1]=[CH:4][C:20]([CH3:2])([CH3:3])[C:21]12[CH:10]=[C:17]([OH:28])[C:19](=[O:30])[N:27]3/[C:16](=[CH:9]\[C:13]4=[CH:11][N:23]=[CH:12][NH:24]4)[C:18]([OH:29])=[N:26][C:22]13[NH:25][C:15]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:14]12 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 4 |
| in models (compartimentalized) |
0 |
|