| Name |
Pelargoniin B
(-)-Pelargoniin B |
| Formula |
C26H22O18 |
| Mw |
622.0806139 |
| CAS RN |
214554-71-9 |
| C_ID |
C00037606
, 
|
| InChIKey |
FUFSTUTVLLDTGB-DBUUUQJHNA-N |
| InChICode |
InChI=1S/C26H22O18/c27-5-12-19-18(35)21(26(40-12)44-22(36)6-1-9(28)16(33)10(29)2-6)43-23(37)7-3-11(30)17(34)20-14(7)15(25(39)42-20)8(4-13(31)32)24(38)41-19/h1-3,8,12,15,18-19,21,26-30,33-35H,4-5H2,(H,31,32)/t8-,12-,15-,18+,19-,21-,26+/m1/s1 |
| SMILES |
[C@@H]1(O[C@H]([C@H]2[C@H]([C@@H]1OC(=O)[C@@H]([C@@H]1c3c(C(=O)O2)cc(c(c3OC1=O)O)O)CC(=O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Geraniaceae | Pelargonium reniforme | Ref. |
|
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