input word = C00022122

Metabolite InformationStructural formula
Name Thymifodioic acid
Formula C20H26O5
Mw 346.17802394
CAS RN 113332-28-8
C_ID C00022122 ,
InChIKey QZDPUYWKZQBXTJ-SCNFBCNRSA-N
InChICode InChI=1S/C20H26O5/c1-15(2)6-3-8-17(19(21)22)10-5-11-18(20(23)24)9-4-7-16-12-13-25-14-16/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,21,22)(H,23,24)/b17-10+,18-9+
SMILES C(=CCC/C(=C\CC/C(=C\CCc1cocc1)/C(=O)O)/C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis thesioides Ref.
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