| Name |
Castalagin |
| Formula |
C41H26O26 |
| Mw |
934.07123101 |
| CAS RN |
24312-00-3 |
| C_ID |
C00042346
, 
|
| InChIKey |
UDYKDZHZAKSYCO-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11-,31+,34-,35-,36+/m1/s1 |
| SMILES |
c12c3c(c(c(c1c1c(c(c(c4c1C(=O)O[C@H]([C@H](OC2=O)[C@H]3O)[C@H]1[C@H](OC(=O)c2c4c(c(c(c2)O)O)O)COC(=O)c2c(c3c(C(=O)O1)cc(c(c3O)O)O)c(c(c(c2)O)O)O)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fagaceae | Castanea sativa Mill.  | Ref. |
| Plantae | Lythraceae | Punica granatum | Ref. |
|
|
zoom in
| Organism | Punica granatum |
|---|
| Reference | Wu, S. et al., Molecules 22, (2017), 1606. |
|---|
|
