| Name |
Casuariin |
| Formula |
C34H24O22 |
| Mw |
784.07592246 |
| CAS RN |
79786-04-2 |
| C_ID |
C00050033
, 
|
| InChIKey |
CHBITXAMNKHJCR-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29-,30+/m0/s1 |
| SMILES |
O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4O)OC(=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 | Myrtaceae | Psidium guajava | Ref. |
| Plantae | Rosaceae | Geum japonicum | Ref. |
|
|
zoom in
| Organism | Punica granatum |
|---|
| Reference | Wu, S. et al., Molecules 22, (2017), 1606. |
|---|
|
