input word = C00011922

Metabolite InformationStructural formula
Name Theonellin isothiocyanate
Formula C16H25NS
Mw 263.17077053
CAS RN 94663-94-2
C_ID C00011922 ,
InChIKey ODKXKBHVDFQUQQ-QACOOCLTNA-N
InChICode InChI=1S/C16H25NS/c1-13(2)6-5-7-14(3)15-8-10-16(4,11-9-15)17-12-18/h5-7,13,15H,8-11H2,1-4H3/b6-5+,14-7+/t15-,16-
SMILES C1C[C@H](CC[C@]1(C)N=C=S)/C(=C/C=C/C(C)C)/C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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