input word = C00038557

Metabolite InformationStructural formula
Name Axinisothiocyanate J
(+)-Axinisothiocyanate J
Formula C16H25NOS
Mw 279.16568516
CAS RN 1015475-84-9
C_ID C00038557 ,
InChIKey RDQPBBPUCUTPAG-XQSCLTKGNA-N
InChICode InChI=1S/C16H25NOS/c1-11(2)12-5-8-16(4,17-10-19)14-6-7-15(3,18)9-13(12)14/h9,11-12,14,18H,5-8H2,1-4H3/t12-,14+,15+,16-/m0/s1
SMILES CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@@H]2CC[C@@](C)(O)C=C12
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
AnimaliaDemospongiaeAxinyssa sp. Ref.
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