quinine
Chemical Formula:
C20H25N2O2
Molecular Weight:
325.43 Daltons
Monoisotopic Mass:
325.1916030571 Daltons
SMILES:
C=CC1(C2(CC[N+](C1)[CH](C2)C(O)C3(=CC=NC4(=CC=C(OC)C=C34))))
InChI:
1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19-,20+/m0/s1
InChIKey:
Synonyms
- chinine
Databases
MetaCyc:
QUININE
ChEBI:
137041
PubChem (CID):
6999115
HMDB:
HMDB14611
ChemSpider:
5366663
KEGG:
C06526
Seed:
cpd03936
MetaNetX:
MNXM2862