input word = C00049753

Metabolite InformationStructural formula
Name Tournefolin B
Formula C13H12O5
Mw 248.06847349
CAS RN 250643-37-9
C_ID C00049753 ,
InChIKey UPFAUWUMOVGSRQ-UHFFFAOYSA-N
InChICode InChI=1S/C13H12O5/c1-16-11-4-3-9(14)6-10(11)12-5-8(7-18-12)13(15)17-2/h3-7,14H,1-2H3
SMILES c1c(c(ccc1O)OC)c1occ(c1)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHeliotropiaceaeTournefortia sarmentosa Ref.
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