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CHEBI:44609 - 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:44609
ChEBI Name3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H19NO5
Net Charge0
Average Mass305.330
Monoisotopic Mass305.12632
SMILES[H]Oc1c([H])c([H])c([H])c(C(=O)O[C@@]2([H])C([H])([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@@]2([H])C(=O)[O-])[N@@+]3([H])C([H])([H])[H])c1[H]
InChIInChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1
InChIKeyXCJJCRPRQYXLRE-AHLTXXRQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID (CHEBI:44609) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,2R,3S,5S,8S)-3-{[(3-hydroxyphenyl)carbonyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylatePDBeChem
3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
OBEPDBeChem