| Name |
Agnucastoside C
(-)-Agnucastoside C |
| Formula |
C34H36O15 |
| Mw |
684.20542048 |
| CAS RN |
610786-31-7 |
| C_ID |
C00036695
, 
|
| InChIKey |
WUVKQNIZPPBNHK-YEMXDPAINA-N |
| InChICode |
InChI=1S/C34H36O15/c1-16-24(47-27(39)11-5-17-2-7-19(35)8-3-17)13-20-21(32(43)44)14-46-33(28(16)20)49-34-31(42)30(41)29(40)25(48-34)15-45-26(38)10-6-18-4-9-22(36)23(37)12-18/h2-12,14,16,20,24-25,28-31,33-37,40-42H,13,15H2,1H3,(H,43,44)/b10-6+,11-5+/t16-,20-,24+,25-,28-,29-,30+,31-,33+,34+/m1/s1 |
| SMILES |
C[C@H]1[C@H]2C(O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(O)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Vitex agnus-castus  | Ref. |
|
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