| Name |
Agnucastoside B
(-)-Agnucastoside B |
| Formula |
C26H40O12 |
| Mw |
544.25197674 |
| CAS RN |
610786-34-0 |
| C_ID |
C00036694
, 
|
| InChIKey |
NCHUIUBVZLLXAJ-ZLFDBBGTNA-N |
| InChICode |
InChI=1S/C26H40O12/c1-13(8-10-27)5-4-6-14(2)23(33)35-12-17-19(28)20(29)21(30)25(37-17)38-24-18-15(7-9-26(18,3)34)16(11-36-24)22(31)32/h6,11,13,15,17-21,24-25,27-30,34H,4-5,7-10,12H2,1-3H3,(H,31,32)/b14-6+/t13-,15+,17+,18+,19+,20-,21+,24-,25-,26-/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)/C(=C/CC[C@@H](CCO)C)/C)O[C@@H]1OC=C([C@@H]2[C@H]1[C@@](CC2)(C)O)C(=O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Vitex agnus-castus  | Ref. |
|
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