input word = C00008164

Metabolite InformationStructural formula
Name Comptonin
Formula C17H16O4
Mw 284.104859
CAS RN 60478-73-1
C_ID C00008164 ,
InChIKey VWTJLHQGHXGHKG-UHFFFAOYNA-N
InChICode InChI=1S/C17H16O4/c1-10-12(18)8-15-16(17(10)20-2)13(19)9-14(21-15)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1
SMILES c1(c(c(c2c(c1)O[C@@H](CC2=O)c1ccccc1)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeComptonia peregrina Ref.
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