input word = C00049975

Metabolite InformationStructural formula
Name Agelasine I
Formula C26H40N5O
Mw 438.32328594
CAS RN 205382-10-1
C_ID C00049975 ,
InChIKey FDEITHSKBFKLEE-FCSGZFITNA-N
InChICode InChI=1S/C26H40N5O/c1-17(11-14-31-16-30(6)24-22(31)23(27)28-15-29-24)9-12-25(4)18(2)10-13-26(5)19(3)20(32)7-8-21(25)26/h11,15-16,18,20-21,32H,3,7-10,12-14H2,1-2,4-6H3,(H2,27,28,29)/b17-11+/t18-,20+,21-,25+,26-/m0/s1
SMILES [C@H]1(CC[C@@H]2[C@](C1=C)(CC[C@@H]([C@@]2(C)CC/C(=C/Cn1cn(c2c1c(ncn2)N)C)/C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sp. Ref.
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