input word = C00020427

Metabolite InformationStructural formula
Name Pechueloic acid
Formula C15H20O3
Mw 248.1412445
CAS RN 83161-56-2
C_ID C00020427 ,
InChIKey ZFHSKBJBODQVBX-AHLYXUNHNA-N
InChICode InChI=1S/C15H20O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h8,11-12H,2,4-7H2,1,3H3,(H,17,18)/t8-,11+,12-/m0/s1
SMILES C12=C(C(=O)C[C@H]1[C@H](CC[C@H](C2)C(=C)C(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDecachaeta scabrella Ref.
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