input word = C00022243

Metabolite InformationStructural formula
Name Havardic acid C
Formula C20H34O4
Mw 338.24570957
CAS RN 108657-48-3
C_ID C00022243 ,
InChIKey DWSLSQNKRUODOY-XWKMFTIMNA-N
InChICode InChI=1S/C20H34O4/c1-13(8-11-21)6-7-15-14(18(23)24)12-16(22)17-19(2,3)9-5-10-20(15,17)4/h12-13,15-17,21-22H,5-11H2,1-4H3,(H,23,24)/t13-,15-,16-,17+,20+/m0/s1
SMILES C[C@H](CCO)CC[C@H]1C(C(=O)O)=C[C@H](O)C2C(C)(C)CCC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia havardii Ref.
zoom in



OrganismGrindelia havardii
ReferenceJolad,Phytochem.,26,(1987),483