input word = C00008547

Metabolite InformationStructural formula
Name Pinobanksin 3-methyl ether
Formula C16H14O5
Mw 286.08412356
CAS RN 129843-35-5
C_ID C00008547 ,
InChIKey NWNHVJMRRDSFHQ-REIYMHPCNA-N
InChICode InChI=1S/C16H14O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,15-18H,1H3/t15-,16-/m1/s1
SMILES c1c(c2c(cc1O)O[C@@H]([C@@H](C2=O)OC)c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaePopulus deltoides Ref.
PlantaeSalicaceaePopulus sargentii Ref.
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