| Name |
Pedunculagin |
| Formula |
C34H24O22 |
| Mw |
784.07592246 |
| CAS RN |
7045-42-3 |
| C_ID |
C00002932
, 
|
| InChIKey |
IYMHVUYNBVWXKH-KYTJPBAANA-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/t14-,27-,28+,29-,34-/m1/s1 |
| SMILES |
[C@H]12[C@H]3[C@H]([C@@H](O[C@@H]1COC(=O)c1cc(c(c(c1c1c(c(c(cc1C(=O)O2)O)O)O)O)O)O)O)OC(=O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)C(=O)O3)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Casuarinaceae | Casuarina sticta | Ref. |
| Plantae | Casuarinaceae | Casuarina stricta | Ref. |
| Plantae | Fagaceae | Quercus spp. | Ref. |
| Plantae | Juglandaceae | Juglans regia  | Ref. |
| Plantae | Juglandaceae | Juglans spp. | Ref. |
| Plantae | Lythraceae | Punica granatum | Ref. |
| Plantae | Melastomataceae | Bredia tuberuculata | Ref. |
| Plantae | Melastomataceae | Monochaetum malabathuricum | Ref. |
| Plantae | Melastomataceae | Monochaetum multiflorum | Ref. |
| Plantae | Melastomataceae | Monochaetum normale | Ref. |
| Plantae | Melastomataceae | Tibouchina multiflora | Ref. |
| Plantae | Melastomataceae | Tibouchina semidecandra | Ref. |
| Plantae | Myrtaceae | Kunzea ambigua | Ref. |
| Plantae | Myrtaceae | Rhodomyrtus tomentosa | Ref. |
| Plantae | Nymphaeaceae | Nymphaea alba | Ref. |
| Plantae | Paeoniaceae | Paeonia albiflora | Ref. |
| Plantae | Rosaceae | Geum japonicum | Ref. |
| Plantae | Rosaceae | Potentilla sp. | Ref. |
| Plantae | Rosaceae | Rubus spp. | Ref. |
| Plantae | Stachyuraceae | Stachyurus praecox | Ref. |
| Plantae | Theaceae | Camellia japonica | Ref. |
|
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