| Name |
Granatin B |
| Formula |
C41H28O27 |
| Mw |
952.0817957 |
| CAS RN |
77322-54-4 |
| C_ID |
C00053270
|
| InChIKey |
FFNTWLBZRJZJEJ-ZGTATTRASA-N |
| InChICode |
InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-37(57)11-5-17(46)27(51)31-22(11)23-12(38(58)66-33)6-19(47)40(59,60)41(23,61)68-31)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39?,41?/m0/s1 |
| SMILES |
O=C1OC2C(OC(=O)c3cc(O)c(O)c(O)c3)OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C3OC(=O)c2cc(O)c(O)c3c2C2C1=CC(=O)C(O)(O)C2(O)O3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lythraceae | Punica granatum  | Ref. |
| Plantae | Lythraceae | Punica granatum L. | Ref. |
| Plantae | Nymphaeaceae | Nymphaea alba | Ref. |
|
|
zoom in
| Organism | Punica granatum L. |
|---|
| Reference | Brighenti, V. et al., J. Chromatogr. A, 1480, (2017), 20-31. |
|---|
|
