| Name |
Certonardoside B |
| Formula |
C39H66O15S |
| Mw |
806.41224217 |
| CAS RN |
476437-74-8 |
| C_ID |
C00045743
, 
|
| InChIKey |
BYRHSDGIUKIOQR-SVPHANOYNA-N |
| InChICode |
InChI=1S/C39H66O15S/c1-19(21(3)16-50-36-35(33(30(44)18-51-36)54-55(46,47)48)53-37-34(49-6)32(45)29(43)17-52-37)7-8-20(2)25-15-28(42)31-23-14-27(41)26-13-22(40)9-11-38(26,4)24(23)10-12-39(25,31)5/h20-37,40-45H,1,7-18H2,2-6H3,(H,46,47,48)/t20-,21+,22+,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33-,34-,35+,36-,37+,38-,39-/m1/s1 |
| SMILES |
C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](C[C@@H]2O)[C@H]2[C@](CC1)([C@H](C[C@H]2O)[C@@H](CCC(=C)[C@@H](C)CO[C@H]1[C@@H](O[C@@H]2OC[C@H]([C@@H]([C@H]2OC)O)O)[C@@H]([C@@H](CO1)O)OS(=O)(=O)O)C)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Certonardoa semiregularis | Ref. |
|
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