CHEBI:3869 - Convoline

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ChEBI Name Convoline
ChEBI ID CHEBI:3869
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H21NO5
Net Charge 0
Average Mass 307.342
Monoisotopic Mass 307.14197
InChI InChI=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
InChIKey QKXIPWXFQDIWOM-UHFFFAOYSA-N
SMILES COc1ccc(cc1OC)C(=O)O[C@H]1CC2CCC(C1)N2O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Convoline (CHEBI:3869) is a methoxybenzoic acid (CHEBI:25238)
Synonym Source
Convoline KEGG COMPOUND
Manual Xrefs Databases
C00002288 KNApSAcK
C10855 KEGG COMPOUND
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Registry Number Type Source
89783-61-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014