input word = C00019811

Metabolite InformationStructural formula
Name Casegravol isovalerate
Formula C20H24O6
Mw 360.1572885
CAS RN 124888-93-3
C_ID C00019811 ,
InChIKey FPSUCNLAFSYJJZ-MDZDMXLPNA-N
InChICode InChI=1S/C20H24O6/c1-13(2)11-18(22)25-12-20(3,23)10-9-15-16(24-4)7-5-14-6-8-17(21)26-19(14)15/h5-10,13,23H,11-12H2,1-4H3/b10-9+/t20-/m0/s1
SMILES c1c(c(c2c(c1)ccc(=O)o2)/C=C/[C@](COC(=O)CC(C)C)(C)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
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