ecgonine methyl ester
Chemical Formula:
C10H18NO3
Molecular Weight:
200.257 Daltons
Monoisotopic Mass:
200.1286684493 Daltons
SMILES:
C[N+]1([CH]2(CC(O)C(C(OC)=O)[CH]1CC2))
InChI:
1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/p+1/t6-,7+,8-,9+/m0/s1
InChIKey:
Synonyms
- methyl ecgonine
- 2β-carbomethoxy-3β-tropine
- methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Databases
MetaCyc:
CPD-9777
ChEBI:
59908
PubChem (CID):
46878490
MetaboLights:
MTBLC59908
HMDB:
HMDB06406
DRUGBANK:
DB04688
ChemSpider:
94674
KEGG:
C12448
Seed:
cpd09199
MetaNetX:
MNXM2226