| Name |
Peonidin 3-sophoroside |
| Formula |
C28H33O16 |
| Mw |
625.17686001 |
| CAS RN |
|
| C_ID |
C00006684
, 
|
| InChIKey |
GLKWRYCXULXFHP-UKTUCVHXNA-O |
| InChICode |
InChI=1S/C28H32O16/c1-39-16-4-10(2-3-13(16)32)25-17(7-12-14(33)5-11(31)6-15(12)40-25)41-28-26(23(37)21(35)19(9-30)43-28)44-27-24(38)22(36)20(34)18(8-29)42-27/h2-7,18-24,26-30,34-38H,8-9H2,1H3,(H2-,31,32,33)/p+1/t18-,19-,20-,21-,22+,23+,24-,26-,27+,28-/m1/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Tibouchina grandiflora | Ref. |
|
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