input word = C00060278

Metabolite InformationStructural formula
Name 4betaH,5alpha-Eremophilan-1-one, cyclic ethylene mercaptole
Formula C17H30S2
Mw 298.17889242
CAS RN 16641-29-5
C_ID C00060278
InChIKey CICNHOLZQNCOGB-UHFFFAOYSA-N
InChICode InChI=1S/C17H30S2/c1-12(2)14-5-6-15-16(4,11-14)13(3)7-8-17(15)18-9-10-19-17/h12-15H,5-11H2,1-4H3
SMILES CC(C)C1CCC2C3(CCC(C)C2(C)C1)SCCS3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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