| Name |
pedunculagin II
Pedunculagin II |
| Formula |
C34H26O22 |
| Mw |
786.09157252 |
| CAS RN |
113900-70-2 |
| C_ID |
C00053640
|
| InChIKey |
TYNMNHMNJMTUEU-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)52-7-18-27(54-31(48)9-3-14(37)22(42)15(38)4-9)28-29(34(51)53-18)56-33(50)11-6-17(40)24(44)26(46)20(11)19-10(32(49)55-28)5-16(39)23(43)25(19)45/h1-6,18,27-29,34-46,51H,7H2 |
| SMILES |
O=C(OCC1OC(O)C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lythraceae | Punica granatum  | Ref. |
| Plantae | Lythraceae | Punica granatum L. | Ref. |
|
|
zoom in
| Organism | Punica granatum L. |
|---|
| Reference | Brighenti, V. et al., J. Chromatogr. A, 1480, (2017), 20-31. |
|---|
|
