| Name |
Malonylginsenoside Ra3 |
| Formula |
C62H102O30 |
| Mw |
1326.64559192 |
| CAS RN |
1268481-62-4 |
| C_ID |
C00059541
|
| InChIKey |
SABMMBQQLJBUGT-HXVAASPGSA-N |
| InChICode |
InChI=1S/C62H102O30/c1-25(2)10-9-14-62(8,92-56-49(80)45(76)42(73)32(88-56)24-84-54-50(81)51(43(74)30(21-64)85-54)90-53-47(78)39(70)28(66)22-83-53)26-11-16-61(7)38(26)27(65)18-34-59(5)15-13-35(58(3,4)33(59)12-17-60(34,61)6)89-57-52(46(77)40(71)29(20-63)86-57)91-55-48(79)44(75)41(72)31(87-55)23-82-37(69)19-36(67)68/h10,26-35,38-57,63-66,70-81H,9,11-24H2,1-8H3,(H,67,68)/t26-,27+,28+,29+,30+,31+,32+,33-,34+,35-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48+,49+,50+,51-,52+,53-,54+,55-,56-,57-,59-,60+,61+,62-/m0/s1 |
| SMILES |
CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)C(C)(C)C3CCC12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Panax ginseng  | Ref. |
|
|
zoom in
| Organism | Panax ginseng |
|---|
| Reference | https://doi.org/10.1016/j.chroma.2016.05.051
https://doi.org/10.1016/j.jpba.2014.12.005
https://doi.org/10.1016/j.jpba.2014.12.030 |
|---|
|
