input word = C00056307

Metabolite InformationStructural formula
Name Tetrahydro-6-pentyl-2H-thiopyran-2-octanoic acid
Formula C18H34O2S
Mw 314.22795106
CAS RN 1001228-61-0
C_ID C00056307
InChIKey ZAVQMLQVNYVIRD-UHFFFAOYSA-N
InChICode InChI=1S/C18H34O2S/c1-2-3-7-11-16-13-10-14-17(21-16)12-8-5-4-6-9-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
SMILES CCCCCC1CCCC(CCCCCCCC(O)=O)S1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativu Ref.
PlantaeAlliaceaeAllium sativus Ref.
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OrganismAllium sativus
ReferenceDembitsky, V.M. et al., Nat. Prod. Commun., 2007, 2, 771-774 (isol, ms)