| Name |
Pedunculagin I
pedunculagin I |
| Formula |
C34H24O22 |
| Mw |
784.07592246 |
| CAS RN |
118014-30-5 |
| C_ID |
C00053639
|
| InChIKey |
IYMHVUYNBVWXKH-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2 |
| SMILES |
O=C1OCC2OC(O)C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC3C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O |
| 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 |
|---|
| Reference | Wu, S. et al., Molecules 22, (2017), 1606. |
|---|
|
