input word = C00053678

Metabolite InformationStructural formula
Name Phylligenin
Formula C21H24O6
Mw 372.1572885
CAS RN 23397-47-9
C_ID C00053678
InChIKey CPJKKWDCUOOTEW-SORVUCRQSA-N
InChICode InChI=1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m1/s1
SMILES COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2ccc(OC)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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