input word = C00046470

Metabolite InformationStructural formula
Name Tournefolic acid B ethyl ester
Formula C19H16O6
Mw 340.09468824
CAS RN 434333-50-3
C_ID C00046470 ,
InChIKey WIXDFLWXLUYIGH-VMPITWQZSA-N
InChICode InChI=1S/C19H16O6/c1-2-24-18(23)8-5-11-4-7-14(20)19-13(11)6-3-12-9-15(21)16(22)10-17(12)25-19/h3-10,20-22H,2H2,1H3/b8-5+
SMILES CCOC(=O)/C=C/c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHeliotropiaceaeTournefortia sarmentosa Ref.
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OrganismTournefortia sarmentosa
ReferenceLin,J.Nat.Prod.,65,(2002),745