EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:8176 - Phyllalbine

ChEBI IDCHEBI:8176
ChEBI NamePhyllalbine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H21NO4
Net Charge0
Average Mass291.347
Monoisotopic Mass291.14706
SMILESCOc1cc(C(=O)OC2CC3CCC(C2)N3C)ccc1O
InChIInChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3
InChIKeyOZKTVDIYALBSMA-UHFFFAOYSA-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)
Phyllalbine (CHEBI:8176) is a methoxybenzoic acid (CHEBI:25238)
Synonym  Source
PhyllalbineKEGG COMPOUND
Manual XrefsDatabases
C10863KEGG COMPOUND
C00002298KNApSAcK
Registry NumbersSources
CAS:4540-25-4KEGG COMPOUND