input word = C00022648

Metabolite InformationStructural formula
Name Gutierrezianolic acid isobutyrate methyl ester
Formula C25H38O4
Mw 402.2770097
CAS RN
C_ID C00022648 ,
InChIKey VSFOZPUOGJXMFT-JPRREIGNNA-N
InChICode InChI=1S/C25H38O4/c1-17(2)15-29-21-14-19(23(26)27-6)20(9-8-18-10-13-28-16-18)25(5)12-7-11-24(3,4)22(21)25/h10,13-14,16-17,20-22H,7-9,11-12,15H2,1-6H3/t20-,21+,22-,25+/m0/s1
SMILES COC(=O)C1=C[C@H](OCC(C)C)[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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