| Name |
Petunidin 3-(6''-p-coumarylglucoside) |
| Formula |
C31H29O14 |
| Mw |
625.15573064 |
| CAS RN |
51939-69-6,71991-89-4 |
| C_ID |
C00006896
, 
|
| InChIKey |
KTFQEFWNLAUGAX-JSQOXMNJNA-O |
| InChICode |
InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31,38-40H,13H2,1H3,(H4-,32,33,34,35,36,37)/p+1/t24-,27-,28-,29-,31-/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)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Catharanthus roseus  | Ref. |
| Plantae | Vitaceae | Vitis cinerea | Ref. |
| Plantae | Vitaceae | Vitis vinifera | Ref. |
|
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