input word = C00056799

Metabolite InformationStructural formula
Name 2-(Methylthio)-4-heptanethiol
Formula C8H18S2
Mw 178.08499203
CAS RN 1006684-24-7
C_ID C00056799
InChIKey ZAGKRQLGEPRRBX-UHFFFAOYSA-N
InChICode InChI=1S/C8H18S2/c1-4-5-8(9)6-7(2)10-3/h7-9H,4-6H2,1-3H3
SMILES CCCC(S)CC(C)SC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
zoom in



OrganismCapsicum annuum
ReferenceNaef, R. et al., J. Agric. Food Chem., 2008, 56, 517-527 (isol, synth, pmr, cmr, ms)