input word = C00046469

Metabolite InformationStructural formula
Name Tournefolic acid B
Formula C17H12O6
Mw 312.06338812
CAS RN 434337-17-4
C_ID C00046469 ,
InChIKey QOUSSKPKMYDXFC-ZZXKWVIFSA-N
InChICode InChI=1S/C17H12O6/c18-12-5-2-9(3-6-16(21)22)11-4-1-10-7-13(19)14(20)8-15(10)23-17(11)12/h1-8,18-20H,(H,21,22)/b6-3+
SMILES O=C(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