| Name |
6'''-O-Sinapoylsaponarin |
| Formula |
C38H40O19 |
| Mw |
800.2163791 |
| CAS RN |
212271-11-9 |
| C_ID |
C00058011
|
| InChIKey |
AGLOWEFNIHNCIZ-MTNBZWSSSA-N |
| InChICode |
InChI=1S/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)43)3-8-26(42)53-14-25-31(45)34(48)36(50)38(57-25)56-21-12-20-27(18(41)11-19(54-20)16-4-6-17(40)7-5-16)32(46)28(21)37-35(49)33(47)30(44)24(13-39)55-37/h3-12,24-25,30-31,33-40,43-50H,13-14H2,1-2H3/b8-3+/t24-,25-,30-,31-,33+,34+,35-,36-,37+,38?/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OC[C@H]2OC(Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Hordeum vulgare var. nudum  | Ref. |
|
|
zoom in
| Organism | Hordeum vulgare var. nudum |
|---|
| Reference | Horowitz, R.M. et al., Chem. Ind. (London), 1964, 498-499 (struct) |
|---|
|
