| Name |
Velutinoside I |
| Formula |
C40H54O24 |
| Mw |
918.30050266 |
| CAS RN |
629647-90-1 |
| C_ID |
C00036235
, 
|
| InChIKey |
SZACDOIDSPMWRE-HNKJZZJUNA-N |
| InChICode |
InChI=1S/C40H54O24/c1-15-26(48)30(52)36(64-38-31(53)27(49)22(46)13-57-38)40(59-15)63-35-33(55)39(56-9-8-17-3-6-19(43)21(45)11-17)61-24(14-58-37-32(54)29(51)28(50)23(12-41)60-37)34(35)62-25(47)7-4-16-2-5-18(42)20(44)10-16/h2-7,10-11,15,22-24,26-46,48-55H,8-9,12-14H2,1H3/b7-4+/t15-,22-,23+,24+,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37+,38-,39+,40-/m0/s1 |
| SMILES |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Marrubium velutinum | Ref. |
|
|
zoom in
|
