input word = C00038373

Metabolite InformationStructural formula
Name Agelasine C
(-)-Agelasine C
Formula C26H40N5
Mw 422.32837131
CAS RN 92664-78-3
C_ID C00038373 ,
InChIKey BOUHSOCEHRQJNM-SDUVSETBNA-N
InChICode InChI=1S/C26H41N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4/h8,12,16,19-20H,7,9-11,13-15,17H2,1-6H3,(H2,27,28,29)/b18-12+/t19-,20+,26+/m0/s1
SMILES c1nc(c2c(n1)N(CN2C/C=C(/CC[C@@]1([C@H](CC[C@@H]2C1=CCCC2(C)C)C)C)\C)C)N
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas nakamurai Ref.
zoom in