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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2,4-dihydroxyquinoline
Properties
Image
MNX_ID
MNXM1372610
reference
seedM:cpd23607
formula
C
9
H
9
NO
2
global charge
0
mol weight
163.176
InChIKey
CEMVZWRMVQCJPE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-4,9-10,12H,5H2
SMILES
O=C1CC(O)NC2=CC=CC=C12
MNX internals
InChI (mnx)
InChI=1/C9H9NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-4,9-10,12H,5H2/t9?
SMILES (mnx)
[CH:1]1=[CH:2][CH:4]=[C:7]2[C:6](=[CH:3]1)[C:8](=[O:11])[CH2:5][CH:9]([OH:12])[NH:10]2
Parent-child relations graph
Occurences in reactions
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
Similar chemical compounds in external resources
Identifier
Description
seed.compound:cpd23607
seedM:cpd23607
CEMVZWRMVQCJPE-UHFFFAOYSA-N
2,4-dihydroxyquinoline
2,4-quinolinediol
seedM:M_cpd23607
secondary/obsolete/fantasy identifier