| Name |
Certonardoside E |
| Formula |
C39H66O16S |
| Mw |
822.40715679 |
| CAS RN |
476437-80-6 |
| C_ID |
C00045746
, 
|
| InChIKey |
YPOMRMXJCHZQEA-QEONPDDPNA-N |
| InChICode |
InChI=1S/C39H66O16S/c1-19(21(3)16-51-35-33(31(28(44)18-52-35)55-56(47,48)49)54-36-32(50-6)30(45)27(43)17-53-36)7-8-20(2)23-14-25(41)34-38(23,5)12-10-29-37(4)11-9-22(40)13-24(37)26(42)15-39(29,34)46/h7-8,19-36,40-46H,9-18H2,1-6H3,(H,47,48,49)/b8-7+/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28+,29-,30+,31+,32-,33+,34-,35-,36+,37+,38-,39+/m1/s1 |
| SMILES |
CO[C@H]1[C@H](O[C@H]2[C@H](OC[C@@H](C)[C@H](C)/C=C/[C@@H](C)[C@H]3C[C@@H](O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)C[C@@H]5[C@@H](O)C[C@]34O)OC[C@@H](O)[C@@H]2OS(=O)(=O)O)OC[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Certonardoa semiregularis | Ref. |
|
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