input word = C00053306

Metabolite InformationStructural formula
Name Heptadecanoic acid, methyl ester
Formula C18H36O2
Mw 284.27153039
CAS RN 1731-92-6
C_ID C00053306
InChIKey HUEBIMLTDXKIPR-UHFFFAOYSA-N
InChICode InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
SMILES CCCCCCCCCCCCCCCCC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeMagnoliaceaeMagnolia officinalis Ref.
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceShpatov, A. V. et al., Chem. Biodiv., 14, (2017), e1600203.