| Name |
Pelargoniin A |
| Formula |
C40H30O26 |
| Mw |
926.10253114 |
| CAS RN |
302780-07-0 |
| C_ID |
C00037605
, 
|
| InChIKey |
XCUHVJOOUUWHHO-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C40H30O26/c41-12-1-8(2-13(42)23(12)47)34(55)66-38-33-32-31(65-39(59)40(60)6-17(46)24(48)22(40)21-11(37(58)64-33)5-16(45)27(51)30(21)54)18(62-38)7-61-35(56)9-3-14(43)25(49)28(52)19(9)20-10(36(57)63-32)4-15(44)26(50)29(20)53/h1-5,17-18,22,31-33,38,41-47,49-54,60H,6-7H2/t17-,18-,22+,31+,32+,33-,38-,40+/m0/s1 |
| SMILES |
[C@@H]12O[C@H]([C@@H]3[C@@H]([C@@H]1OC(=O)[C@]1(C[C@@H](C(=O)[C@H]1c1c(C(=O)O3)cc(c(c1O)O)O)O)O)OC(=O)c1cc(c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Geraniaceae | Pelargonium reniforme | Ref. |
|
|
zoom in
| Organism | Pelargonium reniforme |
|---|
| Reference | Latte,Phytochem.,54,(2000),701 |
|---|
|
