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CHEBI:191065 - Anhydroecgonine methyl ester

ChEBI IDCHEBI:191065
ChEBI NameAnhydroecgonine methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H15NO2
Net Charge0
Average Mass181.235
Monoisotopic Mass181.11028
SMILES[H][C@@]12CC=C(C(=O)OC)[C@@]([H])(CC1)N2C
InChIInChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1
InChIKeyMPSNEAHFGOEKBI-VXNVDRBHSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anhydroecgonine methyl ester (CHEBI:191065) is a N-alkylpyrrolidine (CHEBI:46775)
IUPAC Name 
methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
Manual XrefsDatabases
106705ChemSpider
Registry NumbersSources
CAS:43021-26-7ChemIDplus