| Name |
Watterose E
(-)-Watterose E |
| Formula |
C54H64O30 |
| Mw |
1192.34824071 |
| CAS RN |
292137-15-6 |
| C_ID |
C00046968
, 
|
| InChIKey |
WANISNGGMCJLAD-HJPOYIBVNA-N |
| InChICode |
InChI=1S/C54H64O30/c1-24(57)73-21-35-40(65)43(68)45(70)52(77-35)80-47-46(79-38(63)16-12-27-10-14-30(60)32(18-27)72-3)36(22-74-25(2)58)78-53(48(47)81-51-44(69)42(67)39(64)33(19-55)76-51)84-54(23-75-37(62)15-11-26-9-13-29(59)31(61)17-26)49(41(66)34(20-56)83-54)82-50(71)28-7-5-4-6-8-28/h4-18,33-36,39-49,51-53,55-56,59-61,64-70H,19-23H2,1-3H3/b15-11+,16-12+/t33-,34-,35-,36-,39-,40-,41-,42+,43+,44-,45-,46-,47+,48-,49+,51+,52+,53-,54+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@]3(COC(=O)/C=C/c4ccc(O)c(O)c4)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)c3ccccc3)O[C@@H]2COC(C)=O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala wattersii | Ref. |
|
|
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