input word = C00062856

Metabolite InformationStructural formula
Name (12E,14E,17E)-11-Hydroxy-12,14,17-eicosatrienoic acid methyl ester
Formula C21H36O3
Mw 336.26644502
CAS RN 742070-67-3
C_ID C00062856
InChIKey XAGHXPSQGFWIRK-CITRGTOMSA-N
InChICode InChI=1S/C21H36O3/c1-3-4-5-6-8-11-14-17-20(22)18-15-12-9-7-10-13-16-19-21(23)24-2/h4-5,8,11,14,17,20,22H,3,6-7,9-10,12-13,15-16,18-19H2,1-2H3/b5-4+,11-8+,17-14+
SMILES CCC=CCC=CC=CC(O)CCCCCCCCCC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex integra Ref.
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