input word = C00009661

Metabolite InformationStructural formula
Name Desmodin
Formula C22H22O6
Mw 382.14163844
CAS RN 56257-27-3
C_ID C00009661 ,
InChIKey CEAWIMABVSITMV-UHFFFAOYNA-N
InChICode InChI=1S/C22H22O6/c1-22(2)6-5-11-16(28-22)9-18-19(20(11)25-4)21-13(10-26-18)12-7-17(24-3)14(23)8-15(12)27-21/h5-9,13,21,23H,10H2,1-4H3/t13-,21+/m1/s1
SMILES COc1cc2c(cc1O)OC1c3c(cc4c(c3OC)C=CC(C)(C)O4)OCC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDesmodium gangeticum Ref.
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