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3-hydroxyquinine

MNXM735186 is deprecated and replaced by MNXM735184
PropertiesImage
MNX_IDMNXM735184 Image of MNXM735184
referencechebi:58234
formulaC20H25N2O3
global charge1
mol weight341.431
InChIKeyBSRUJCFCZKMFMB-YGHPHNMRSA-O
InChIInChI=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
SMILESC=C[C@@]1(O)C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)C1=CC=NC2=C1C=C(OC)C=C2
MNX internals
InChI (mnx)InChI=1/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/t13-,18-,19+,20+/m0/s1 Image of MNXM735184
SMILES (mnx)[CH2:1]=[CH:3][C@@:20]1([OH:24])[CH2:12][N:22]2[CH2:9][CH2:7][C@H:13]1[CH2:10][C@H:18]2[C@@H:19]([C:15]1=[CH:6][CH:8]=[N:21][C:17]2=[C:16]1[CH:11]=[C:14]([O:25][CH3:2])[CH:4]=[CH:5]2)[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58234
chebi:58234
BSRUJCFCZKMFMB-YGHPHNMRSA-O 		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
BSRUJCFCZKMFMB-YGHPHNMRSA-N 		3-Hydroxyquinine

vmhM:3hqn
vmhmetabolite:3hqn
BSRUJCFCZKMFMB-YGHPHNMRSA-N 		3-Hydroxyquinine
(3S,4R,6S)-3-ethenyl-6-[(R)-hydroxy(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol

seed.compound:cpd04547
seedM:cpd04547
BSRUJCFCZKMFMB-YGHPHNMRSA-O 		3-Hydroxyquinine
3-hydroxyquinine

metacyc.compound:3-HYDROXYQUININE
metacycM:3-HYDROXYQUININE
BSRUJCFCZKMFMB-YGHPHNMRSA-O 		3-hydroxyquinine

CHEBI:17685
chebi:17685
BSRUJCFCZKMFMB-YGHPHNMRSA-N 		3-hydroxyquinine
(8alpha,9R)-6'-methoxycinchonan-3,9-diol
3-Hydroxyquinine

chebi:11838
chebi:1555
keggC:M_C07344
seedM:M_cpd04547
vmhM:M_3hqn 		secondary/obsolete/fantasy identifier