| Name |
Watterose A
(-)-Watterose A |
| Formula |
C52H62O28 |
| Mw |
1134.3427614 |
| CAS RN |
292138-64-8 |
| C_ID |
C00046964
, 
|
| InChIKey |
CQMJVXOIPWZSQT-TZVBQHRJNA-N |
| InChICode |
InChI=1S/C52H62O28/c1-24(56)70-22-34-38(62)41(65)43(67)50(74-34)76-45-44(75-36(60)17-11-25-8-13-28(57)14-9-25)33(21-55)73-51(46(45)77-49-42(66)40(64)37(61)31(19-53)72-49)80-52(23-71-35(59)16-12-26-10-15-29(58)30(18-26)69-2)47(39(63)32(20-54)79-52)78-48(68)27-6-4-3-5-7-27/h3-18,31-34,37-47,49-51,53-55,57-58,61-67H,19-23H2,1-2H3/b16-12+,17-11+/t31-,32-,33-,34-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47+,49+,50+,51-,52+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](OC(=O)/C=C/c4ccc(O)cc4)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c2ccccc2)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala wattersii | Ref. |
|
|
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