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CHEBI:3869 - Convoline

ChEBI IDCHEBI:3869
ChEBI NameConvoline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H21NO5
Net Charge0
Average Mass307.346
Monoisotopic Mass307.14197
SMILESCOc1ccc(C(=O)OC2CC3CCC(C2)N3O)cc1OC
InChIInChI=1S/C16H21NO5/c1-20-14-6-3-10(7-15(14)21-2)16(18)22-13-8-11-4-5-12(9-13)17(11)19/h3,6-7,11-13,19H,4-5,8-9H2,1-2H3
InChIKeyQKXIPWXFQDIWOM-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)
Convoline (CHEBI:3869) is a methoxybenzoic acid (CHEBI:25238)
Synonym  Source
ConvolineKEGG COMPOUND
Manual XrefsDatabases
C10855KEGG COMPOUND
C00002288KNApSAcK
Registry NumbersSources
CAS:89783-61-9KEGG COMPOUND