input word = C00056323

Metabolite InformationStructural formula
Name 2-Mercapto-4-heptanol
Formula C7H16OS
Mw 148.09218586
CAS RN 1006684-20-3
C_ID C00056323
InChIKey WCMYMGMOAOAROK-UHFFFAOYSA-N
InChICode InChI=1S/C7H16OS/c1-3-4-7(8)5-6(2)9/h6-9H,3-5H2,1-2H3
SMILES CCCC(O)CC(S)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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OrganismCapsicum annuum
ReferenceNaef, R. et al., J. Agric. Food Chem., 2008, 56, 517-527 (isol, synth, pmr, cmr, ms)