elymoclavine aldehyde
Chemical Formula:
C16H17N2O
Molecular Weight:
253.323 Daltons
Monoisotopic Mass:
253.13408817820002 Daltons
SMILES:
C[N+]4(CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))
InChI:
1S/C16H16N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,9,13,15,17H,6,8H2,1H3/p+1/t13-,15-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14471
PubChem (CID):
90658272
MetaNetX:
MNXM97513