input word = C00022651

Metabolite InformationStructural formula
Name Acetoxygutierrezianolic acid methyl ester
Formula C23H32O5
Mw 388.22497413
CAS RN 73489-15-3
C_ID C00022651 ,
InChIKey DFZKVWMCSGKCMW-KMIFZVESNA-N
InChICode InChI=1S/C23H32O5/c1-15(24)28-19-13-17(21(25)26-5)18(8-7-16-9-12-27-14-16)23(4)11-6-10-22(2,3)20(19)23/h9,12-14,18-20H,6-8,10-11H2,1-5H3/t18-,19+,20-,23+/m0/s1
SMILES COC(=O)C1=C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia espinosae Ref.
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