input word = C00035965

Metabolite InformationStructural formula
Name 6'-O-beta-D-glucopyranosyl gentiopicroside
6'-O-beta-D-glucopyranosylgentiopicroside
Formula C22H30O14
Mw 518.16355567
CAS RN 115713-06-9
C_ID C00035965 ,
InChIKey BERNCPGDRADLCG-BGVXJPRYNA-N
InChICode InChI=1S/C22H30O14/c1-2-8-9-3-4-31-19(30)10(9)6-32-20(8)36-22-18(29)16(27)14(25)12(35-22)7-33-21-17(28)15(26)13(24)11(5-23)34-21/h2-3,6,8,11-18,20-29H,1,4-5,7H2/t8-,11-,12-,13-,14-,15+,16+,17-,18-,20+,21-,22+/m1/s1
SMILES C1OC(=O)C2=CO[C@H]([C@@H](C2=C1)C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeGentianaceaeSwertia japonica MAKINO Ref.
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