input word = C00020276

Metabolite InformationStructural formula
Name Polygonic acid
Formula C15H22O3
Mw 250.15689457
CAS RN 98204-84-3
C_ID C00020276 ,
InChIKey LRXXFRKMFULWQZ-HFQXQFEANA-N
InChICode InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)11(14)6-5-10(9-16)12(15)13(17)18/h5,9,11-12H,4,6-8H2,1-3H3,(H,17,18)/t11-,12+,15+/m0/s1
SMILES CC1(C)CCC[C@]2(C)[C@@H](C(=O)O)C(C=O)=CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum hydropiper Ref.
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