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CHEBI:3868 - Convolamine

ChEBI IDCHEBI:3868
ChEBI NameConvolamine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H23NO4
Net Charge0
Average Mass305.374
Monoisotopic Mass305.16271
SMILESCOc1ccc(C(=O)OC2CC3CCC(C2)N3C)cc1OC
InChIInChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3
InChIKeyAEFPCFUCFQBXDQ-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)
Convolamine (CHEBI:3868) is a methoxybenzoic acid (CHEBI:25238)
Synonym  Source
ConvolamineKEGG COMPOUND
Manual XrefsDatabases
C10854KEGG COMPOUND
C00002287KNApSAcK
Registry NumbersSources
CAS:500-56-1KEGG COMPOUND