input word = C00022123

Metabolite InformationStructural formula
Name 17-Acetoxythymifodioic acid
Formula C22H28O7
Mw 404.18350325
CAS RN 113332-27-7
C_ID C00022123 ,
InChIKey HZACVSICXUMUFW-PNRYRWEJSA-N
InChICode InChI=1S/C22H28O7/c1-16(14-29-17(2)23)6-3-8-19(21(24)25)10-5-11-20(22(26)27)9-4-7-18-12-13-28-15-18/h6,9-10,12-13,15H,3-5,7-8,11,14H2,1-2H3,(H,24,25)(H,26,27)/b16-6-,19-10+,20-9+
SMILES C(=C\CC/C(=C\CC/C(=C\CCc1cocc1)/C(=O)O)/C(=O)O)(/C)\COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis thesioides Ref.
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OrganismBaccharis thesioides
ReferenceSaad,Phytochem.,26,(1987),3033