| Name |
Scrophuloside A3
(-)-Scrophuloside A3 |
| Formula |
C32H40O17 |
| Mw |
696.22654986 |
| CAS RN |
240819-27-6 |
| C_ID |
C00034225
, 
|
| InChIKey |
HFGCHODICASFRK-JTOCBSOZNA-N |
| InChICode |
InChI=1S/C32H40O17/c1-13-25(46-19(37)8-5-15-3-6-16(36)7-4-15)27(44-14(2)35)24(41)31(43-13)47-26-17-9-10-42-29(20(17)32(12-34)28(26)49-32)48-30-23(40)22(39)21(38)18(11-33)45-30/h3-10,13,17-18,20-31,33-34,36,38-41H,11-12H2,1-2H3/b8-5+/t13-,17-,18+,20+,21+,22-,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+/m0/s1 |
| SMILES |
C1=C[C@H]2[C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]1([C@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)OC(=O)/C=C/c2ccc(cc2)O)OC(=O)C)O)O1)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Scrophulariaceae | Scrophularia nodosa L.  | Ref. |
|
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