input word = C00053301

Metabolite InformationStructural formula
Name Heneicosanoic acid
n-Heneicosanoic acid
Formula C21H42O2
Mw 326.31848058
CAS RN 2363-71-5
C_ID C00053301
InChIKey CKDDRHZIAZRDBW-UHFFFAOYSA-N
InChICode InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
SMILES CCCCCCCCCCCCCCCCCCCCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeOlea europaea Ref.
PlantaePinaceaePinus sibirica Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismOlea europaea
ReferenceAldrich Library of 13C and 1H FT NMR Spectra,1992, 1, 758B

, 927B (nmr)