| Name |
Petunidin 3-sophoroside |
| Formula |
C28H33O17 |
| Mw |
641.17177463 |
| CAS RN |
|
| C_ID |
C00006725
, 
|
| InChIKey |
ITUYOPAKDJPQRC-JPNGOUCMNA-O |
| InChICode |
InChI=1S/C28H32O17/c1-40-15-3-9(2-13(33)19(15)34)25-16(6-11-12(32)4-10(31)5-14(11)41-25)42-28-26(23(38)21(36)18(8-30)44-28)45-27-24(39)22(37)20(35)17(7-29)43-27/h2-6,17-18,20-24,26-30,35-39H,7-8H2,1H3,(H3-,31,32,33,34)/p+1/t17-,18-,20-,21-,22-,23-,24-,26-,27+,28-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)OC)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gesneriaceae | Rhynchotechum parviflorum | Ref. |
| Plantae | Solanaceae | Petunia x hybrida | Ref. |
|
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