input word = C00060242

Metabolite InformationStructural formula
Name Tuberonic acid methyl ester
Formula C13H20O4
Mw 240.13615913
CAS RN 163748-48-9
C_ID C00060242
InChIKey XCZTYYQNVNLGKI-UZAOFVRNSA-N
InChICode InChI=1S/C13H20O4/c1-17-13(16)9-10-6-7-12(15)11(10)5-3-2-4-8-14/h2-3,10-11,14H,4-9H2,1H3/b3-2-/t10-,11+/m1/s1
SMILES COC(=O)CC1CCC(=O)C1CC=CCCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismSolanum lycopersicum
Referencehttps://doi.org/10.1016/j.chroma.2012.08.047