| Name |
Swertiajaponin 3'-O-gentiobioside |
| Formula |
C34H42O21 |
| Mw |
786.22185841 |
| CAS RN |
76166-51-3 |
| C_ID |
C00006324
, 
|
| InChIKey |
VMJVTNFHNNWHNY-VWLJQYBANA-N |
| InChICode |
InChI=1S/C34H42O21/c1-49-15-6-16-20(25(42)21(15)32-29(46)26(43)22(39)17(7-35)52-32)12(38)5-13(51-16)10-2-3-11(37)14(4-10)53-34-31(48)28(45)24(41)19(55-34)9-50-33-30(47)27(44)23(40)18(8-36)54-33/h2-6,17-19,22-24,26-37,39-48H,7-9H2,1H3/t17-,18+,19-,22+,23+,24+,26-,27-,28-,29+,30+,31+,32-,33+,34+/m0/s1 |
| SMILES |
COc1cc2oc(-c3ccc(O)c(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)c3)cc(=O)c2c(O)c1[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Phragmites australis  | Ref. |
|
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