input word = C00049313

Metabolite InformationStructural formula
Name Sulphoxide
Formula C18H28O3S
Mw 324.17591549
CAS RN 120-62-7
C_ID C00049313 ,
InChIKey ATTZFSUZZUNHBP-UHFFFAOYNA-N
InChICode InChI=1S/C18H28O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h9-10,13,15H,3-8,11-12,14H2,1-2H3/t15-,22-/m1/s1
SMILES c1(ccc2c(c1)OCO2)C[C@@H](C)[S@](=O)CCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites japonicus Ref.
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