| Name |
Vanicoside A |
| Formula |
C51H50O21 |
| Mw |
998.28445866 |
| CAS RN |
155179-22-9 |
| C_ID |
C00046957
, 
|
| InChIKey |
RNXDQKHOEWIRNH-ADXRHOCANA-N |
| InChICode |
InChI=1S/C51H50O21/c1-29(52)68-48-47(63)45(61)39(26-65-42(58)23-13-33-9-20-37(56)38(25-33)64-2)69-50(48)72-51(28-67-43(59)22-11-31-5-16-35(54)17-6-31)49(70-44(60)24-12-32-7-18-36(55)19-8-32)46(62)40(71-51)27-66-41(57)21-10-30-3-14-34(53)15-4-30/h3-25,39-40,45-50,53-56,61-63H,26-28H2,1-2H3/b21-10+,22-11+,23-13+,24-12+/t39-,40-,45-,46-,47+,48-,49+,50-,51+/m1/s1 |
| SMILES |
c1c(ccc(c1)/C=C/C(=O)OC[C@H]1O[C@]([C@H]([C@@H]1O)OC(=O)/C=C/c1ccc(cc1)O)(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)C)O)O)COC(=O)/C=C/c1cc(c(cc1)O)OC)COC(=O)/C=C/c1ccc(cc1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygonaceae | Polygonum pensylvanicum | Ref. |
| Plantae | Polygonaceae | Polygonum perfoliatum | Ref. |
|
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