benzoylecgonine
Chemical Formula:
C16H19NO4
Molecular Weight:
289.33 Daltons
Monoisotopic Mass:
290.1392331356 Daltons
SMILES:
C[N+]2([CH]3(CC(OC(C1(C=CC=CC=1))=O)C(C([O-])=O)[CH]2CC3))
InChI:
1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-14389
PubChem (CID):
24916772
Reactome:
5693712
Seed:
cpd07733
HMDB:
HMDB41836
MetaNetX:
MNXM51786
KEGG:
C10847