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CHEBI:3870 - Convolvine

ChEBI IDCHEBI:3870
ChEBI NameConvolvine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H21NO4
Net Charge0
Average Mass291.347
Monoisotopic Mass291.14706
SMILESCOc1ccc(C(=O)OC2CC3CCC(C2)N3)cc1OC
InChIInChI=1S/C16H21NO4/c1-19-14-6-3-10(7-15(14)20-2)16(18)21-13-8-11-4-5-12(9-13)17-11/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3
InChIKeyHDLNHIIKSUHARQ-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)
Convolvine (CHEBI:3870) is a methoxybenzoic acid (CHEBI:25238)
Synonym  Source
ConvolvineKEGG COMPOUND
Manual XrefsDatabases
C10856KEGG COMPOUND
C00002289KNApSAcK
Registry NumbersSources
CAS:537-30-4KEGG COMPOUND