| Name |
Triquetroside A2
(-)-Triquetroside A2
|
| Formula |
C51H84O23 |
| Mw |
1064.54033899 |
| CAS RN |
628727-95-7 |
| C_ID |
C00045122
, 
|
| InChIKey |
FQEXPODOMIADGS-GARKWSPXNA-N |
| InChICode |
InChI=1S/C51H84O23/c1-19(18-66-47-43(39(61)35(57)29(16-52)70-47)72-45-41(63)37(59)33(55)21(3)67-45)9-12-51(65)20(2)32-28(74-51)15-27-25-8-7-23-13-24(14-31(54)50(23,6)26(25)10-11-49(27,32)5)69-48-44(40(62)36(58)30(17-53)71-48)73-46-42(64)38(60)34(56)22(4)68-46/h7,19-22,24-48,52-65H,8-18H2,1-6H3/t19-,20+,21+,22+,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45+,46+,47-,48-,49+,50+,51+/m1/s1 |
| SMILES |
C[C@H](CC[C@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium triquetrum  | Ref. |
|
|
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