input word = C00008734

Metabolite InformationStructural formula
Name Pinobanksin 3-benzoate
Formula C22H16O6
Mw 376.09468824
CAS RN 129693-91-0
C_ID C00008734 ,
InChIKey PRQXPTFVFPFBQS-VJOGAFQXNA-N
InChICode InChI=1S/C22H16O6/c23-15-11-16(24)18-17(12-15)27-20(13-7-3-1-4-8-13)21(19(18)25)28-22(26)14-9-5-2-6-10-14/h1-12,20-21,23-24H/t20-,21-/m1/s1
SMILES O=C(O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaePopulus deltoides Ref.
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