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4-Hydroxyisophthalic acid

PropertiesImage
MNX_IDMNXM37537 Image of MNXM37537
referencechebi:229985
formulaC8H6O5
global charge0
mol weight182.131
InChIKeyBCEQKAQCUWUNML-UHFFFAOYSA-N
InChIInChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
SMILESO=C(O)C1=CC=C(O)C(C(=O)O)=C1
MNX internals
InChI (mnx)InChI=1/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13) Image of MNXM37537
SMILES (mnx)[CH:1]1=[CH:2][C:6]([OH:9])=[C:5]([C:8](=[O:12])[OH:13])[CH:3]=[C:4]1[C:7](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:229985
chebi:229985
BCEQKAQCUWUNML-UHFFFAOYSA-N 		4-Hydroxyisophthalic acid
4-hydroxybenzene-1,3-dicarboxylic acid

kegg.compound:C21168
keggC:C21168
BCEQKAQCUWUNML-UHFFFAOYSA-N 		4-Hydroxyisophthalate
4-Hydroxy-1,3-benzenedicarboxylate

metacyc.compound:CPD-18294
metacycM:CPD-18294
seed.compound:cpd23114
seedM:cpd23114
BCEQKAQCUWUNML-UHFFFAOYSA-L 		4-hydroxyisophthalate
4-hydroxyisophthalic acid

envipath:...1590ff0741f9
envipathM:...1590ff0741f9
BCEQKAQCUWUNML-UHFFFAOYSA-L 		compound 0049818

keggC:M_C21168
seedM:M_cpd23114 		secondary/obsolete/fantasy identifier