| Name |
Buddlejoside A4 |
| Formula |
C33H42O17 |
| Mw |
710.24219992 |
| CAS RN |
140187-12-8 |
| C_ID |
C00036076
, 
|
| InChIKey |
VORMEQNHMJOLMM-RMKNXTFCNA-N |
| InChICode |
InChI=1S/C33H42O17/c1-14-26(47-20(37)9-6-16-4-7-17(42-3)8-5-16)28(45-15(2)36)25(41)32(44-14)48-27-18-10-11-43-30(21(18)33(13-35)29(27)50-33)49-31-24(40)23(39)22(38)19(12-34)46-31/h4-11,14,18-19,21-32,34-35,38-41H,12-13H2,1-3H3/b9-6+/t14-,18-,19-,21-,22+,23+,24-,25+,26-,27-,28-,29-,30+,31+,32-,33+/m0/s1 |
| SMILES |
[C@H]1(O[C@H]([C@@H]([C@@H]([C@H]1OC(=O)/C=C/c1ccc(cc1)OC)OC(=O)C)O)O[C@H]1[C@@H]2[C@H]([C@@]3([C@H]1O3)CO)[C@H](OC=C2)O[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Buddlejaceae | Buddleja japonica Hemsl. | Ref. |
| Plantae | Scrophulariaceae | Scrophularia nodosa L.  | Ref. |
|
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