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CHEBI:3202 - Buchananine

Default Structure
ChEBI IDCHEBI:3202
ChEBI NameBuchananine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H15NO7
Net Charge0
Average Mass285.252
Monoisotopic Mass285.08485
SMILESO=C(OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cccnc1
InChIInChI=1S/C12H15NO7/c14-8-7(20-12(18)10(16)9(8)15)5-19-11(17)6-2-1-3-13-4-6/h1-4,7-10,12,14-16,18H,5H2/t7-,8-,9+,10-,12+/m1/s1
InChIKeyASJDJBXXEHTEBW-GPTQDWHKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Buchananine (CHEBI:3202) is a aromatic carboxylic acid (CHEBI:33859)
Buchananine (CHEBI:3202) is a pyridines (CHEBI:26421)
Synonym  Source
BuchananineKEGG COMPOUND
Manual XrefsDatabases
C00002025KNApSAcK
C10134KEGG COMPOUND
Registry NumbersSources
CAS:70802-12-9KEGG COMPOUND