input word = C00056306

Metabolite InformationStructural formula
Name 5-Hexyltetrahydro-2-thiopheneoctanoic acid
Formula C18H34O2S
Mw 314.22795106
CAS RN 1001228-60-9
C_ID C00056306
InChIKey OTXDYBDPTPCMFR-UHFFFAOYSA-N
InChICode InChI=1S/C18H34O2S/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
SMILES CCCCCCC1CCC(CCCCCCCC(O)=O)S1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
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