input word = C00012171

Metabolite InformationStructural formula
Name Perydiscolic acid
Formula C15H18O4
Mw 262.12050906
CAS RN 106794-14-3
C_ID C00012171 ,
InChIKey KZWCOWFKXMTBRH-PMPZPZMMNA-N
InChICode InChI=1S/C15H18O4/c1-9-4-3-5-11(14(16)17)6-7-12-10(2)15(18)19-13(12)8-9/h5,8,12-13H,2-4,6-7H2,1H3,(H,16,17)/b9-8+,11-5+/t12-,13-/m0/s1
SMILES C\1(=C\CC/C(=C/[C@H]2[C@@H](CC1)C(=C)C(=O)O2)/C)/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePerymenium discolor Ref.
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