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7,8-dihydro-7,8-dihydroxykynurenate

PropertiesImage
MNX_IDMNXM1535 Image of MNXM1535
referencechebi:58015
formulaC10H8NO5
global charge-1
mol weight222.176
InChIKeyLLAWHKBFIBTIBH-UHFFFAOYSA-M
InChIInChI=1S/C10H9NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,6,9,12,14H,(H,11,13)(H,15,16)/p-1
SMILESO=C([O-])C1=CC(O)=C2C=CC(O)C(O)C2=N1
MNX internals
InChI (mnx)InChI=1/C10H9NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,6,9,12,14H,(H,11,13)(H,15,16)/t6?,9? Image of MNXM1535
SMILES (mnx)[CH:1]1=[CH:2][CH:6]([OH:12])[CH:9]([OH:14])[C:8]2=[N:11][C:5]([C:10](=[O:15])[OH:16])=[CH:3][C:7]([OH:13])=[C:4]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58015
chebi:58015
LLAWHKBFIBTIBH-UHFFFAOYSA-M 		7,8-dihydro-7,8-dihydroxykynurenate
4,7,8-trihydroxy-7,8-dihydroquinoline-2-carboxylate
7,8-dihydro-7,8-dihydroxykynurenate anion
7,8-dihydro-7,8-dihydroxykynurenate(1-)

kegg.compound:C01249
keggC:C01249
vmhM:78dh78dhkrnrt
vmhmetabolite:78dh78dhkrnrt
LLAWHKBFIBTIBH-UHFFFAOYSA-N 		7,8-Dihydro-7,8-dihydroxykynurenate

seed.compound:cpd00917
seedM:cpd00917
LLAWHKBFIBTIBH-UHFFFAOYSA-M 		7,8-Dihydro-7,8-dihydroxykynurenate
7,8-dihydro-7,8-dihydroxykynurenate

metacyc.compound:CPD-274
metacycM:CPD-274
LLAWHKBFIBTIBH-UHFFFAOYSA-L 		7,8-dihydro-7,8-dihydroxykynurenate

CHEBI:17109
chebi:17109
LLAWHKBFIBTIBH-UHFFFAOYSA-N 		7,8-dihydro-7,8-dihydroxykynurenic acid
4,7,8-trihydroxy-7,8-dihydroquinoline-2-carboxylic acid
7,8-Dihydro-7,8-dihydroxykynurenate

chebi:12243
chebi:20766
chebi:2249
keggC:M_C01249
seedM:M_cpd00917
vmhM:M_78dh78dhkrnrt 		secondary/obsolete/fantasy identifier