input word = C00035149

Metabolite InformationStructural formula
Name Picroroside C
(-)-Picroroside C
Formula C33H36O13
Mw 640.21559124
CAS RN 920746-11-8
C_ID C00035149 ,
InChIKey FXGWLZASDVOBQB-HAJHBETANA-N
InChICode InChI=1S/C33H36O13/c34-22(13-11-18-7-3-1-4-8-18)41-16-21-27(37)28(38)29(39)32(43-21)46-31-25-20-15-24(45-31)42-17-33(25,40)30(26(20)36)44-23(35)14-12-19-9-5-2-6-10-19/h1-14,20-21,24-32,36-40H,15-17H2/b13-11+,14-12+/t20-,21-,24?,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
SMILES O1[C@H]2OC[C@]3([C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/c1ccccc1)[C@H]([C@@H]([C@H]3OC(=O)/C=C/c1ccccc1)O)C2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeNeopicrorhiza scrophulariiflora Ref.
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OrganismNeopicrorhiza scrophulariiflora
ReferenceKim,Phytochem.,67,(2006),2691