input word = C00053190

Metabolite InformationStructural formula
Name Gadoleic acid
Formula C20H38O2
Mw 310.28718046
CAS RN 29204-02-2
C_ID C00053190
InChIKey LQJBNNIYVWPHFW-QXMHVHEDSA-N
InChICode InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-
SMILES CCCCCCCCCC/C=CCCCCCCCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.