input word = C00052549

Metabolite InformationStructural formula
Name 12-Methyltridecanoic acid
Formula C14H28O2
Mw 228.20893014
CAS RN 2724-57-4
C_ID C00052549
InChIKey YYVJAABUJYRQJO-UHFFFAOYSA-N
InChICode InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
SMILES CC(C)CCCCCCCCCCC(O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceRogachev, A. D. et al., Chem. Biodiv., 12, (2015), 1-53.