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compound 0070216

Properties

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Occurences in reactions

MNX_ID

MNXM150568

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₁₇O₃

charge

-1

mass

221.11832

reference

InChIKey

UJHKVYPPCJBOSG-SECBINFHSA-M

InChI

InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)/p-1/t9-/m1/s1

SMILES

C[C@@H](C(=O)[O-])c1ccc(CC(C)(C)O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
envipath:...f2085b1521c8 envipathM:...f2085b1521c8	compound 0070216
hmdb:HMDB0060920	2-Hydroxyibuprofen 2,4'-(2-Hydroxy-2-methylpropyl)phenylpropionate 2,4'-(2-Hydroxy-2-methylpropyl)phenylpropionic acid 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid Hydroxyibuprofen Ibuprofen OH
CHEBI:133196 chebi:133196	2-hydroxyibuprofen(1-) 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate 2-hydroxyibuprofen anion
CHEBI:133197 chebi:133197	2-hydroxyibuprofen 2,4'-(2-Hydroxy-2-methylpropyl)phenylpropionic acid 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid Hydroxyibuprofen Ibuprofen OH
envipath:...3897cab08289 envipathM:...3897cab08289	compound 0000142
envipath:...7031cccc9a8c envipathM:...7031cccc9a8c	compound 0038034
hmdb:HMDB0060698 hmdb:HMDB60698 hmdb:HMDB60920	secondary/obsolete/fantasy identifier