input word = C00038556

Metabolite InformationStructural formula
Name Axinisothiocyanate I
(+)-Axinisothiocyanate I
Formula C16H25NO3S
Mw 311.1555144
CAS RN 1015475-83-8
C_ID C00038556 ,
InChIKey RNTDOFFXRNYXPF-ATQLDHBCNA-N
InChICode InChI=1S/C16H25NO3S/c1-11(2)16(20-19)8-7-15(4,17-10-21)12-5-6-14(3,18)9-13(12)16/h9,11-12,18-19H,5-8H2,1-4H3/t12-,14-,15+,16-/m1/s1
SMILES CC(C)[C@]1(OO)CC[C@](C)(N=C=S)[C@@H]2CC[C@@](C)(O)C=C21
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
AnimaliaDemospongiaeAxinyssa sp. Ref.
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