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 [C@]1(CC[C@@H]2C(=C1)[C@@H](CC[C@]2(C)N=C=S)C(C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
AnimaliaDemospongiaeAxinyssa sp. Ref.
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OrganismAxinyssa sp.
ReferenceZubia,J.Nat.Prod.,71,(2008),608