input word = C00061019

Metabolite InformationStructural formula
Name trans-9,cis-12-Octadecadienoic acid
Formula C18H32O2
Mw 280.24023027
CAS RN 2420-42-0
C_ID C00061019
InChIKey OYHQOLUKZRVURQ-KQHSAVHASA-N
InChICode InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+;InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9-
SMILES CCCCCC=CCC=CCCCCCCCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
Referencehttps://doi.org/10.3109/13813455.2016.1148053