neopinone
Chemical Formula:
C18H20NO3
Molecular Weight:
298.361 Daltons
Monoisotopic Mass:
298.1443185135 Daltons
SMILES:
C[N+]4(CCC35(C1(C(=O)CC=C(C(CC2(=CC=C(OC)C(O1)=C23))4)5)))
InChI:
1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/p+1/t12-,17+,18+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-7712
MetaboLights:
MTBLC7510
KEGG:
C06172
Seed:
cpd03682
MetaNetX:
MNXM2268