input word = C00061989

Metabolite InformationStructural formula
Name Brassidic acid
trans-13-Docosenoic acid
Formula C22H42O2
Mw 338.31848058
CAS RN 506-33-2
C_ID C00061989
InChIKey DPUOLQHDNGRHBS-MDZDMXLPSA-N
InChICode InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+
SMILES CCCCCCCCC=CCCCCCCCCCCCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
PlantaeAmaranthaceaeAchyranthes aspera Ref.
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