input word = C00000519

Metabolite InformationStructural formula
Name Ircinol B
Formula C26H42N2O2
Mw 414.3246286
CAS RN 157000-78-7
C_ID C00000519 ,
InChIKey JTIJGTARYKLTGJ-UPEBMWEQNA-N
InChICode InChI=1S/C26H42N2O2/c29-20-22-19-26(30)15-10-6-2-4-8-12-17-28-18-13-23(22)25(21-28)14-9-5-1-3-7-11-16-27-24(25)26/h1-2,5-6,19,23-24,27,29-30H,3-4,7-18,20-21H2/b5-1-,6-2-/t23-,24+,25-,26-/m1/s1
SMILES C\1=C\CCCCN[C@H]2[C@@]3(CN4CC[C@@H]3C(=C[C@]2(O)CC/C=C\CCCC4)CO)CC1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaNiphatidaeAmphimedon sp. Ref.
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OrganismAmphimedon sp.
ReferenceTsuda,Tetrahedron,50,(1994),7959