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CHEBI:116222 - 3-hydroxy-1-adamantanecarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester

ChEBI IDCHEBI:116222
ChEBI Name3-hydroxy-1-adamantanecarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
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DownloadsMolfile
FormulaC22H31NO5
Net Charge0
Average Mass389.492
Monoisotopic Mass389.22022
SMILESCOCCn1c(C)cc(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1C
InChIInChI=1S/C22H31NO5/c1-14-6-18(15(2)23(14)4-5-27-3)19(24)12-28-20(25)21-8-16-7-17(9-21)11-22(26,10-16)13-21/h6,16-17,26H,4-5,7-13H2,1-3H3
InChIKeyDZJVYXDAMKUXEQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-1-adamantanecarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester (CHEBI:116222) is a aromatic ketone (CHEBI:76224)
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LSM-27678LINCS