input word = C00063595

Metabolite InformationStructural formula
Name Polygosumic acid
Formula C15H20O3
Mw 248.1412445
CAS RN 1013930-87-4
C_ID C00063595
InChIKey GRDAGHRYXOVYSA-RAIGVLPGSA-N
InChICode InChI=1S/C15H20O3/c1-8(2)10-4-5-11(15(17)18)13-7-14(16)9(3)6-12(10)13/h5-6,8,10,12-13H,4,7H2,1-3H3,(H,17,18)/t10-,12-,13-/m1/s1
SMILES CC1=CC2C(CC1=O)C(C(=O)O)=CCC2C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum viscosum Ref.
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