input word = C00046468

Metabolite InformationStructural formula
Name Tournefolic acid A
Formula C17H12O6
Mw 312.06338812
CAS RN 434337-16-3
C_ID C00046468 ,
InChIKey KSKIGSUQYGWNAK-ZZXKWVIFSA-N
InChICode InChI=1S/C17H12O6/c18-12-4-2-10(7-14(12)20)15-8-11-9(3-6-16(21)22)1-5-13(19)17(11)23-15/h1-8,18-20H,(H,21,22)/b6-3+
SMILES O=C(O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHeliotropiaceaeTournefortia sarmentosa Ref.
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