input word = C00038561

Metabolite InformationStructural formula
Name Axinisothiocyanate N
(-)-Axinisothiocyanate N
Formula C16H25NO2S
Mw 295.16059978
CAS RN 1114491-53-0
C_ID C00038561 ,
InChIKey LXBUUBJVUIYCJI-LVQZMAMXNA-N
InChICode InChI=1S/C16H25NO2S/c1-12(2)16(19-18)9-8-14(3)6-5-7-15(4,17-11-20)13(14)10-16/h13,18H,1,5-10H2,2-4H3/t13-,14-,15-,16+/m1/s1
SMILES C1[C@@](C[C@@H]2[C@@](C1)(CCC[C@@]2(C)N=C=S)C)(OO)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaDemospongiaeAxinyssa isabela Ref.
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OrganismAxinyssa isabela
ReferenceZubia,J.Nat.Prod.,71,(2008),2004