| Name |
Tibouchinin
Malvidin-3-(6-O-p-coumarylglucoside)-5-glucoside |
| Formula |
C38H41O19 |
| Mw |
801.22420413 |
| CAS RN |
144940-56-7,51939-51-6 |
| C_ID |
C00006910
, 
|
| InChIKey |
KGEHZUCHEKVXEU-KFMULMOZNA-O |
| InChICode |
InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1/t26-,27-,30-,31-,32+,33+,34-,35-,37-,38-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Hyssopus officinalis  | Ref. |
| Plantae | Labiatae | Lavandula dentata | Ref. |
| Plantae | Labiatae | Salvia spp. | Ref. |
| Plantae | Melastomataceae | Phyllagathis tuberculata | Ref. |
| Plantae | Melastomataceae | Tibouchina semidecandra | Ref. |
| Plantae | Oxalidaceae | Oxalis triangularis | Ref. |
| Plantae | Vitaceae | Vitis vinifera | Ref. |
|
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