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CHEBI:92504 - 4-hydroxy-3-methoxybenzoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

ChEBI IDCHEBI:92504
ChEBI Name4-hydroxy-3-methoxybenzoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
Stars
DownloadsMolfile
FormulaC16H21NO4
Net Charge0
Average Mass291.347
Monoisotopic Mass291.14706
SMILESCOc1cc(C(=O)OC2C[C@H]3CC[C@@H](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/t11-,12+,13?
InChIKeyOZKTVDIYALBSMA-FUNVUKJBSA-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)
4-hydroxy-3-methoxybenzoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester (CHEBI:92504) is a methoxybenzoic acid (CHEBI:25238)
Manual XrefsDatabases
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