| Name |
Mesembryanthin |
| Formula |
C44H50O25 |
| Mw |
978.26411715 |
| CAS RN |
253351-27-8 |
| C_ID |
C00039749
, 
|
| InChIKey |
ISCKCKJULNOYCD-HLARACJNNA-N |
| InChICode |
InChI=1S/C44H50O25/c1-59-22-10-16(4-7-18(22)47)5-9-27(51)66-41-38(67-42-35(58)33(56)29(52)25(13-45)64-42)21(50)15-62-43(41)69-40-34(57)30(53)26(14-46)65-44(40)68-39-32(55)28-24(12-20(49)37(61-3)31(28)54)63-36(39)17-6-8-19(48)23(11-17)60-2/h4-12,21,25-26,29-30,33-35,38,40-50,52-54,56-58H,13-15H2,1-3H3/b9-5-/t21-,25-,26-,29-,30-,33+,34+,35-,38+,40-,41-,42+,43+,44+/m1/s1 |
| SMILES |
COc1cc(/C=CC(=O)O[C@H]2[C@H](O[C@H]3[C@H](Oc4c(-c5ccc(O)c(OC)c5)oc5cc(O)c(OC)c(O)c5c4=O)O[C@H](CO)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aizoaceae | Mesembryanthemum crystallinum L.  | Ref. |
|
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