| Name |
Betavulgaroside III |
| Formula |
C47H72O20 |
| Mw |
956.46169474 |
| CAS RN |
168111-48-6 |
| C_ID |
C00038590
, 
|
| InChIKey |
GNCYMXULNXKROG-YRMWMADHNA-N |
| InChICode |
InChI=1S/C47H72O20/c1-42(2)14-16-47(41(61)67-39-30(53)29(52)28(51)23(19-48)63-39)17-15-45(6)21(22(47)18-42)8-9-25-44(5)12-11-26(43(3,4)24(44)10-13-46(25,45)7)64-40-32(55)34(31(54)35(66-40)37(59)60)65-38(33(56)36(57)58)62-20-27(49)50/h8,22-26,28-35,38-40,48,51-56H,9-20H2,1-7H3,(H,49,50)(H,57,58)(H,59,60)/t22-,23+,24-,25+,26-,28+,29-,30+,31-,32+,33+,34-,35-,38-,39-,40+,44-,45+,46+,47-/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@H](OCC(=O)O)[C@@H](C(=O)O)O)O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Chenopodiaceae | Beta vulgaris  | Ref. |
|
|
zoom in
| Organism | Beta vulgaris |
|---|
| Reference | Tan,Phytochem.,52,(1999),153 |
|---|
|
