| Name |
Punicalagin |
| Formula |
C48H28O30 |
| Mw |
1084.06653956 |
| CAS RN |
65995-63-3 |
| C_ID |
C00035378
, 
|
| InChIKey |
SKNLUADAGHCXKF-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C48H28O30/c49-5-16-40(76-46(70)9-3-13(52)28(56)32(60)18(9)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)7-1-11(50)29(57)33(61)19(7)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)20-10(45(69)75-39)4-14(53)30(58)34(20)62/h1-5,15-16,39-40,50-66H,6H2/t15-,16-,39-,40+/m0/s1 |
| SMILES |
c12c3c4c(c(=O)o1)c1c(c(c4oc(=O)c3c(c(c2O)O)c2c(c(c(cc2C(=O)OC[C@@H]([C@H](OC(=O)c2c1c(c(c(c2)O)O)O)[C@@H]1OC(=O)c2c(c3c(C(=O)O[C@H]1C=O)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 | Combretaceae | Terminalia chebula  | Ref. |
| Plantae | Combretaceae | Terminalia oblongata | Ref. |
| Plantae | Lythraceae | Punica granatum | Ref. |
|
|
zoom in
| Organism | Terminalia chebula |
|---|
| Reference | Mayer, et al., Justus Liebigs Ann Chem, (1977), 1976
Tanaka, et al., Chem Pharm Bull, 34, (1986), 650.
Liu, et al., Chem Pharm Bull, 38, (1990), 3004.
Doig, et al., J Chem Soc, Perkin Trans I, (1990), 2317 |
|---|
|
