input word = C00047336

Metabolite InformationStructural formula
Name Polygonophenone
Formula C12H16O5
Mw 240.09977362
CAS RN 123253-31-6
C_ID C00047336 ,
InChIKey YYZOXGSWCULAMT-UHFFFAOYSA-N
InChICode InChI=1S/C12H16O5/c1-9(13)11-4-3-10(7-12(11)14)17-8-16-6-5-15-2/h3-4,7,14H,5-6,8H2,1-2H3
SMILES c1(cc(c(cc1)C(=O)C)O)OCOCCOC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum maritimum Ref.
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OrganismPolygonum maritimum
ReferenceKazantzoglou,J.Nat.Prod.,72,(2009),187