input word = C00039617

Metabolite InformationStructural formula
Name Lespedezacoumestan
Formula C21H20O8
Mw 400.11581762
CAS RN 1030609-89-2
C_ID C00039617 ,
InChIKey MSRCSJJZGZPZMA-UHFFFAOYSA-N
InChICode InChI=1S/C21H20O8/c1-21(2,26)5-4-9-11(22)7-15-17(18(9)27-3)19-16(20(25)29-15)10-6-12(23)13(24)8-14(10)28-19/h6-8,22-24,26H,4-5H2,1-3H3
SMILES COc1c(CCC(C)(C)O)c(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLespedeza virgata Ref.
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