| Name |
Watterose I
(-)-Watterose I |
| Formula |
C49H58O27 |
| Mw |
1078.31654665 |
| CAS RN |
292135-85-4 |
| C_ID |
C00046972
, 
|
| InChIKey |
OXTHBVIHMVVIBV-NMNUSXDYNA-N |
| InChICode |
InChI=1S/C49H58O27/c1-22(53)66-20-31-34(58)37(61)39(63)47(70-31)72-41-40(71-32(56)15-13-23-12-14-26(54)27(55)16-23)30(19-52)69-48(42(41)73-46-38(62)36(60)33(57)28(17-50)68-46)76-49(21-67-44(64)24-8-4-2-5-9-24)43(35(59)29(18-51)75-49)74-45(65)25-10-6-3-7-11-25/h2-16,28-31,33-43,46-48,50-52,54-55,57-63H,17-21H2,1H3/b15-13+/t28-,29-,30-,31-,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,46+,47+,48-,49+/m1/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C)O[C@H]1[C@H](OC(=O)/C=C/c2cc(c(cc2)O)O)[C@H](O[C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)CO)COC(=O)c1ccccc1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Polygalaceae | Polygala wattersii | Ref. |
|
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