input word = C00022647

Metabolite InformationStructural formula
Name Gutierrezianolic acid 2-methylbutyrate
Formula C25H36O5
Mw 416.25627426
CAS RN 73489-08-4
C_ID C00022647 ,
InChIKey LIAWUIZUTWKGIA-KTAMQIBTNA-N
InChICode InChI=1S/C25H36O5/c1-6-16(2)23(28)30-20-14-18(22(26)27)19(9-8-17-10-13-29-15-17)25(5)12-7-11-24(3,4)21(20)25/h10,13-16,19-21H,6-9,11-12H2,1-5H3,(H,26,27)/t16-,19+,20-,21+,25-/m1/s1
SMILES C1CC([C@H]2[C@](C1)([C@H](C(=C[C@H]2OC(=O)[C@H](C)CC)C(=O)O)CCc1cocc1)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia espinosae Ref.
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