| Name |
Punicatannin A |
| Formula |
C43H34O28 |
| Mw |
998.12366051 |
| CAS RN |
1404492-09-6 |
| C_ID |
C00053726
|
| InChIKey |
XJAVIPDOVORKLF-KBOFZOCJSA-N |
| InChICode |
InChI=1S/C43H34O28/c1-63-20(49)8-43-24(34(40(61)64-2)69-42(43)62)23-13(7-18(48)28(53)33(23)71-43)39(60)67-32-19-9-65-37(58)11-5-16(46)26(51)29(54)21(11)22-12(6-17(47)27(52)30(22)55)38(59)68-35(32)31(56)41(66-19)70-36(57)10-3-14(44)25(50)15(45)4-10/h3-7,19,24,31-32,34-35,41,44-48,50-56H,8-9H2,1-2H3/t19-,24+,31-,32-,34+,35-,41-,43+/m0/s1 |
| SMILES |
COC(=O)C[C@@]12Oc3c(O)c(O)cc(C(=O)O[C@@H]4[C@H]5OC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)OC[C@@H]4O[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H]5O)c3[C@@H]1[C@H](C(=O)OC)OC2=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lythraceae | Punica granatum  | Ref. |
|
|
zoom in
| Organism | Punica granatum |
|---|
| Reference | Wu, S. et al., Molecules 22, (2017), 1606. |
|---|
|
