deoxybrevianamide E
Chemical Formula:
C21H25N3O2
Molecular Weight:
351.447 Daltons
Monoisotopic Mass:
351.1946770623 Daltons
SMILES:
C=CC(C)(C)C2(=C(C1(=CC=CC=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))
InChI:
1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15273
KEGG:
C20636
PubChem (CID):
182203
MetaboLights:
MTBLC72948
ChEBI:
72948
MetaNetX:
MNXM124300