input word = C00054951

Metabolite InformationStructural formula
Name Avenalumin III
Formula C18H13NO3
Mw 291.08954329
CAS RN 78214-15-0
C_ID C00054951
InChIKey ASJBOIQMTVOWBG-LZSLGQGWSA-N
InChICode InChI=1S/C18H13NO3/c20-14-11-9-13(10-12-14)5-1-4-8-17-19-16-7-3-2-6-15(16)18(21)22-17/h1-12,20H/b5-1+,8-4+
SMILES O=c1oc(/C=C/C=C/c2ccc(O)cc2)nc2ccccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPucciniaceaePuccinia coronata Ref.
PlantaePoaceaeAvena sativa Ref.
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