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apigeninidin 5-O-beta-D-glucoside
MNXM148946 is deprecated and here replaced by MNXM1368260
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368260 |
 |
| reference | metacycM:CPD-15272 |
| formula | C21H20O9 |
| global charge | 0 |
| mol weight | 416.382 |
| InChIKey | SRKBASTXQAAMHZ-YMQHIKHWSA-N |
| InChI | InChI=1S/C21H20O9/c22-9-17-18(25)19(26)20(27)21(30-17)29-16-8-12(24)7-15-13(16)5-6-14(28-15)10-1-3-11(23)4-2-10/h1-8,17-22,25-27H,9H2,(H-,23,24)/t17-,18-,19+,20-,21-/m1/s1 |
| SMILES | [O-]C1=CC2=C(C=CC(C3=CC=C(O)C=C3)=[O+]2)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O9/c22-9-17-18(25)19(26)20(27)21(30-17)29-16-8-12(24)7-15-13(16)5-6-14(28-15)10-1-3-11(23)4-2-10/h1-8,17-22,25-27H,9H2,(H-,23,24)/t17-,18-,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:23])=[CH:4][CH:2]=[C:10]1[C:14]1=[O+:28][C:15]2=[C:13]([CH:5]=[CH:6]1)[C:16]([O:29][C@H:21]1[C@H:20]([OH:27])[C@@H:19]([OH:26])[C@H:18]([OH:25])[C@@H:17]([CH2:9][OH:22])[O:30]1)=[CH:8][C:12]([O-:24])=[CH:7]2 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|