input word = C00035259

Metabolite InformationStructural formula
Name Cistanoside F
Ligupurpuroside E
Formula C21H28O13
Mw 488.15299098
CAS RN 97411-47-7
C_ID C00035259 ,
InChIKey KARNWFDIYRKBOE-WTVMNEAMNA-N
InChICode InChI=1S/C21H28O13/c1-9-16(29)17(30)18(31)21(32-9)34-20(14(27)8-23)19(13(26)7-22)33-15(28)5-3-10-2-4-11(24)12(25)6-10/h2-6,8-9,13-14,16-22,24-27,29-31H,7H2,1H3/b5-3+/t9-,13+,14-,16-,17+,18+,19+,20-,21-/m0/s1
SMILES [C@@H]1([C@@H](O[C@H]([C@@H]([C@H]1O)O)C)O[C@@H]([C@@H](O)C=O)[C@@H]([C@@H](CO)O)OC(=O)/C=C/c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAcanthus ilicifolius Ref.
PlantaeLabiataeStachys lanata Ref.
PlantaeOleaceaeLigustrum robustum Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
PlantaeVerbenaceaeLippia alba Ref.
zoom in