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3-hydroxyquinine

Properties

Image

Occurences in reactions

MNX_ID

MNXM735184

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

formula

C₂₀H₂₅N₂O₃

charge

mass

341.18597

reference

chebi:58234

InChIKey

BSRUJCFCZKMFMB-YGHPHNMRSA-O

InChI

InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/p+1/t13-,18-,19+,20+/m0/s1

SMILES

C=C[C@@]1(O)C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58234 chebi:58234	3-hydroxyquinine (8alpha,9R)-3,9-dihydroxy-6'-methoxycinchonan-1-ium 3-hydroxyquininium 3-hydroxyquininium cation 3-hydroxyquininium(1+)
sabiork.compound:9454 sabiorkM:9454 kegg.compound:C07344 keggC:C07344	3-Hydroxyquinine
seed.compound:cpd04547 seedM:cpd04547	3-Hydroxyquinine 3-hydroxyquinine
metacyc.compound:3-HYDROXYQUININE metacycM:3-HYDROXYQUININE	3-hydroxyquinine
CHEBI:17685 chebi:17685	3-hydroxyquinine (8alpha,9R)-6'-methoxycinchonan-3,9-diol 3-Hydroxyquinine
chebi:11838 chebi:1555 keggC:M_C07344 seedM:M_cpd04547	secondary/obsolete/fantasy identifier