input word = C00000518

Metabolite InformationStructural formula
Name Ircinol A
Formula C26H40N2O2
Mw 412.30897854
CAS RN 157000-77-6
C_ID C00000518 ,
InChIKey HRIGHPKJBOCXKN-KMHILLLANA-N
InChICode InChI=1S/C26H40N2O2/c29-19-21-17-26(30)13-8-4-1-2-5-9-14-27-16-12-23(21)25(20-27)18-22-11-7-3-6-10-15-28(22)24(25)26/h1,4,7,11,17,22-24,29-30H,2-3,5-6,8-10,12-16,18-20H2/b4-1-,11-7-/t22-,23-,24+,25-,26-/m1/s1
SMILES C1=CCCCCN2[C@H]1C[C@@]13CN4CC[C@@H]1C(=C[C@]([C@@H]23)(O)CC/C=C\CCCC4)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaNiphatidaeAmphimedon sp. Ref.
--Acanthostrongylophora sp. Ref.
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