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3,7,4'-trimethylquercetagetin 3'-O-beta-D-glucoside
MNXM66118 is deprecated and replaced by MNXM588598
| Properties | Image |
|---|
| MNX_ID | MNXM588598 |
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| reference | metacycM:CPD-14886 |
| formula | C24H26O13 |
| global charge | 0 |
| mol weight | 522.459 |
| InChIKey | MZSDWGJFUQVMRD-LKOQWUSFSA-N |
| InChI | InChI=1S/C24H26O13/c1-32-10-5-4-9(6-11(10)36-24-21(31)20(30)17(27)14(8-25)37-24)22-23(34-3)19(29)15-12(35-22)7-13(33-2)16(26)18(15)28/h4-7,14,17,20-21,24-28,30-31H,8H2,1-3H3/t14-,17-,20+,21-,24-/m1/s1 |
| SMILES | COC1=CC=C(C2=C(OC)C(=O)C3=C(O)C(O)=C(OC)C=C3O2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C24H26O13/c1-32-10-5-4-9(6-11(10)36-24-21(31)20(30)17(27)14(8-25)37-24)22-23(34-3)19(29)15-12(35-22)7-13(33-2)16(26)18(15)28/h4-7,14,17,20-21,24-28,30-31H,8H2,1-3H3/t14-,17-,20+,21-,24-/m1/s1 |
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| SMILES (mnx) | [CH3:1][O:32][C:10]1=[C:11]([O:36][C@H:24]2[C@H:21]([OH:31])[C@@H:20]([OH:30])[C@H:17]([OH:27])[C@@H:14]([CH2:8][OH:25])[O:37]2)[CH:6]=[C:9]([C:22]2=[C:23]([O:34][CH3:3])[C:19](=[O:29])[C:15]3=[C:18]([OH:28])[C:16]([OH:26])=[C:13]([O:33][CH3:2])[CH:7]=[C:12]3[O:35]2)[CH:4]=[CH:5]1 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
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