| Name |
Betavulgaroside V
(+)-Betavulgaroside V |
| Formula |
C53H82O25 |
| Mw |
1118.51451817 |
| CAS RN |
168111-49-7 |
| C_ID |
C00038591
, 
|
| InChIKey |
VYVPIFXAYNIMKK-BJVKLRLMNA-N |
| InChICode |
InChI=1S/C53H82O25/c1-48(2)14-16-53(47(70)78-45-35(63)33(61)31(59)25(20-55)73-45)17-15-51(6)22(23(53)18-48)8-9-27-50(5)12-11-28(49(3,4)26(50)10-13-52(27,51)7)74-46-40(77-44-34(62)32(60)30(58)24(19-54)72-44)38(36(64)39(76-46)42(68)69)75-43(37(65)41(66)67)71-21-29(56)57/h8,23-28,30-40,43-46,54-55,58-65H,9-21H2,1-7H3,(H,56,57)(H,66,67)(H,68,69)/t23-,24+,25+,26-,27+,28-,30+,31+,32-,33-,34+,35+,36-,37+,38-,39-,40+,43-,44-,45-,46+,50-,51+,52+,53-/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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)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. |
|
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