| Name |
Barbatoside C |
| Formula |
C37H46O20 |
| Mw |
810.25824391 |
| CAS RN |
342643-50-9 |
| C_ID |
C00036793
, 
|
| InChIKey |
ZURPRSPRZXTTKG-DSJSYCCFNA-N |
| InChICode |
InChI=1S/C37H46O20/c1-18(40)56-37(2,57-36-32(49)30(47)34(25(17-39)53-36)54-26(43)11-8-19-6-9-21(41)10-7-19)15-27(44)51-12-4-5-20-13-22(42)33(23(14-20)50-3)55-35-31(48)29(46)28(45)24(16-38)52-35/h4-11,13-14,24-25,28-32,34-36,38-39,41-42,45-49H,12,15-17H2,1-3H3/b5-4+,11-8-/t24-,25-,28-,29+,30-,31-,32-,34-,35+,36+,37-/m1/s1 |
| SMILES |
c1(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c(cc(cc1OC)/C=C/COC(=O)C[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)OC(=O)/C=C\c1ccc(cc1)O)CO)(OC(=O)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Campanulaceae/Lobeliaceae | Campanula barbata L. | Ref. |
|
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