input word = C00002848

Metabolite InformationStructural formula
Name Obtusifolin 2-glucoside
Formula C22H22O10
Mw 446.12129692
CAS RN 120163-18-0
C_ID C00002848 ,
InChIKey JMDQOFZFOJHOMU-NILYYMSANA-N
InChICode InChI=1S/C22H22O10/c1-8-6-10-14(17(27)13-9(15(10)25)4-3-5-11(13)24)21(30-2)20(8)32-22-19(29)18(28)16(26)12(7-23)31-22/h3-6,12,16,18-19,22-24,26,28-29H,7H2,1-2H3/t12-,16-,18-,19+,22+/m1/s1
SMILES c1ccc2c(c1O)C(=O)c1c(C2=O)cc(c(c1OC)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia obtusifolia Ref.
PlantaeFabaceaeCassia tora Ref.
PlantaeLabiataeTectona grandis Ref.
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OrganismCassia tora
ReferenceTakido,M.Chem.Pharm.Bull.,6,(1958),397-400