| Name |
Atractyloside |
| Formula |
C30H44K2O16S2 |
| Mw |
802.13449062 |
| CAS RN |
17754-44-8 |
| C_ID |
C00003405
, 
|
| InChIKey |
IUCNQFHEWLYECJ-HFXMQETQNA-L |
| InChICode |
InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20+,21+,23-,24-,25+,26+,28+,29-,30-;;/m1../s1 |
| SMILES |
[C@H]1(C[C@H]([C@@H]2[C@@](C1)([C@H]1[C@@]3(CC2)C[C@@H](CC1)C(=C)[C@@H]3O)C)C(=O)O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)OS(=O)(=O)O[K])OS(=O)(=O)O[K])OC(=O)CC(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Atractylis gummifera  | Ref. |
| Plantae | Asteraceae | Xanthium mongolicum | Ref. |
|
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