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 crassicaulis Ref.
PlantaeGentianaceaeGentiana macrophylla Ref.
PlantaeGentianaceaeGentiana manshurica Ref.
PlantaeGentianaceaeGentiana rigescens Ref.
PlantaeGentianaceaeGentiana scabra Ref.
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeGentianaceaeSwertia japonica MAKINO Ref.
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