input word = C00049973

Metabolite InformationStructural formula
Name Agelasine A
Formula C26H40N5
Mw 422.32837131
CAS RN 56271-74-0
C_ID C00049973 ,
InChIKey IMMRUMDJLDNKKI-XKFDTLOLNA-N
InChICode InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)10-13-25(4)20(3)11-14-26(5)19(2)8-7-9-21(25)26/h8,12,16-17,20-21H,7,9-11,13-15H2,1-6H3,(H2,27,28,29)/b18-12+/t20-,21-,25+,26-/m0/s1
SMILES C1=C([C@]2([C@@H](CC1)[C@]([C@H](CC2)C)(C)CC/C(=C/Cn1cn(c2c1c(ncn2)N)C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sp. Ref.
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