input word = C00042555

Metabolite InformationStructural formula
Name Gentiascabraside A
(-)-Gentiascabraside A
Formula C17H24O11
Mw 404.13186161
CAS RN 857665-56-6
C_ID C00042555 ,
InChIKey GUMTTXZLNRMPHI-AHEBQEKDNA-N
InChICode InChI=1S/C17H24O11/c1-3-7-8-4-5-25-15(22)17(8,23)16(24-2)28-13(7)27-14-12(21)11(20)10(19)9(6-18)26-14/h3-4,7,9-14,16,18-21,23H,1,5-6H2,2H3/t7-,9-,10-,11+,12-,13+,14+,16+,17-/m1/s1
SMILES C1OC(=O)[C@@]2(C(=C1)[C@H]([C@H](O[C@@H]2OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C=C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana scabra Ref.
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OrganismGentiana scabra
ReferenceKikuchi,J.Nat.Prod.,68,(2005),751