input word = C00050088

Metabolite InformationStructural formula
Name epi-Agelasine C
Formula C26H40N5
Mw 422.32837131
CAS RN 187825-31-6
C_ID C00050088 ,
InChIKey UZYCIJHYYJMHIN-BINFPGNLNA-N
InChICode InChI=1S/C26H40N5/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/h8,12,16-17,19-20H,7,9-11,13-15H2,1-6H3,(H2,27,28,29)/b18-12+/t19-,20-,26-/m0/s1
SMILES [C@@H]12C(=CCCC2(C)C)[C@@]([C@H](CC1)C)(C)CC/C(=C/Cn1cn(c2c1c(ncn2)N)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas mauritiana Ref.
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