input word = C00022244

Metabolite InformationStructural formula
Name Havardic acid D
Formula C20H30O5
Mw 350.20932407
CAS RN 108657-49-4
C_ID C00022244 ,
InChIKey BNEIWLJTTLILKL-OSPOWBLUNA-N
InChICode InChI=1S/C20H30O5/c1-12(10-16(22)23)6-7-14-13(18(24)25)11-15(21)17-19(2,3)8-5-9-20(14,17)4/h11-12,14,17H,5-10H2,1-4H3,(H,22,23)(H,24,25)/t12-,14-,17-,20+/m0/s1
SMILES C[C@@H](CC[C@H]1C(C(=O)O)=CC(=O)C2C(C)(C)CCC[C@@]21C)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrindelia havardii Ref.
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