input word = C00038551

Metabolite InformationStructural formula
Name Axinisothiocyanate D
(+)-Axinisothiocyanate D
Formula C16H25NO2S
Mw 295.16059978
CAS RN 1015475-77-0
C_ID C00038551 ,
InChIKey ZUDSVIIZJCRBTA-UBYFPMPVNA-N
InChICode InChI=1S/C16H25NO2S/c1-11(2)16(19)8-7-15(4,17-10-20)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 [C@]1(CC[C@@H]2C(=C1)[C@](CC[C@]2(C)N=C=S)(C(C)C)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
AnimaliaDemospongiaeAxinyssa sp. Ref.
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OrganismAxinyssa sp.
ReferenceZubia,J.Nat.Prod.,71,(2008),608