input word = C00038375

Metabolite InformationStructural formula
Name Agelasine E
Formula C26H40N5
Mw 422.32837131
CAS RN 92599-00-3
C_ID C00038375 ,
InChIKey RRDWKROQRRLRDN-KYRQBFFONA-N
InChICode InChI=1S/C26H41N5/c1-19(12-13-22-21(3)11-8-15-26(22,4)5)9-7-10-20(2)14-16-31-18-30(6)25-23(31)24(27)28-17-29-25/h9,14,17,22H,3,7-8,10-13,15-16,18H2,1-2,4-6H3,(H2,27,28,29)/b19-9+,20-14+/t22-/m0/s1
SMILES c1nc(c2c(n1)N(CN2C/C=C(/CC/C=C(/CC[C@H]1C(=C)CCCC1(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.
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