input word = C00038372

Metabolite InformationStructural formula
Name Agelasine B
Formula C26H40N5
Mw 422.32837131
CAS RN 92664-76-1
C_ID C00038372 ,
InChIKey DPSRVOWVSJLMOX-YPVTVZKGNA-N
InChICode InChI=1S/C26H41N5/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/h8,12,16,20-21H,7,9-11,13-15,17H2,1-6H3,(H2,27,28,29)/b18-12+/t20-,21-,25+,26+/m1/s1
SMILES c1nc(c2c(n1)N(CN2C/C=C(/CC[C@]1([C@@H](CC[C@@]2([C@@H]1CCC=C2C)C)C)C)\C)C)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp L-His
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas nakamurai Ref.
AnimaliaAgelasidaeAgelas sp. Ref.
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OrganismAgelas sp.
ReferenceFu,J.Nat.Prod.,61,(1998),548