| Name |
Agnucastoside A
(-)-Agnucastoside A |
| Formula |
C26H38O12 |
| Mw |
542.23632668 |
| CAS RN |
610786-38-4 |
| C_ID |
C00036693
, 
|
| InChIKey |
XLRKOLKRNKXOTP-LVVVILKKNA-N |
| InChICode |
InChI=1S/C26H38O12/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/h6,8,11,15,17-21,24-25,27-30,34H,4-5,7,9-10,12H2,1-3H3,(H,31,32)/b13-8+,14-6+/t15-,17-,18-,19-,20+,21-,24+,25+,26+/m1/s1 |
| SMILES |
C/C(=CCO)CC/C=C(C)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@](C)(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Vitex agnus-castus  | Ref. |
|
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