input word = C00000517

Metabolite InformationStructural formula
Name Ircinal B
Formula C26H40N2O2
Mw 412.30897854
CAS RN 139975-56-7
C_ID C00000517 ,
InChIKey IOPCGOMGAPTZOW-UPEBMWEQNA-N
InChICode InChI=1S/C26H40N2O2/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/h1-2,5-6,19-20,23-24,27,30H,3-4,7-18,21H2/b5-1-,6-2-/t23-,24+,25-,26-/m0/s1
SMILES C\1=C\CCCCN[C@@H]2[C@]3(CN4CC[C@H]3C(=C[C@@]2(O)CC/C=C\CCCC4)C=O)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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