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2-Hydroxy-5-carboxymethylmuconate semialdehyde

PropertiesImage
MNX_IDMNXM1364427 Image of MNXM1364427
referencekeggC:C04642
formulaC8H8O6
global charge0
mol weight200.146
InChIKeyNLXIEJRQAIHYPN-SOSXVSKCSA-N
InChIInChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2+
SMILESO=C/C(=C\C=C(\O)C(=O)O)CC(=O)O
MNX internals
InChI (mnx)InChI=1/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2+ Image of MNXM1364427
SMILES (mnx)[CH:1](/[CH:2]=[C:6](\[C:8](=[O:13])[OH:14])[OH:10])=[C:5](\[CH2:3][C:7](=[O:11])[OH:12])[CH:4]=[O:9]
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

kegg.compound:C04642
keggC:C04642
NLXIEJRQAIHYPN-SOSXVSKCSA-N 		2-Hydroxy-5-carboxymethylmuconate semialdehyde
5-Carboxymethyl-2-hydroxymuconate semialdehyde
5-Carboxymethyl-2-hydroxymuconic semialdehyde

metacyc.compound:CPD-783
metacycM:CPD-783
NLXIEJRQAIHYPN-SOSXVSKCSA-L 		2-hydroxy-5-carboxymethylmuconate semialdehyde
2-hydroxy-5-carboxymethyl-cis,cis-muconate 6-semialdehyde
2-hydroxy-5-carboxymethylmuconate 6-semialdehyde
5-carboxymethyl-2-hydroxymuconate 6-semialdehyde
5-carboxymethyl-2-hydroxymuconate semialdehyde

envipath:...40a57ec31a20
envipathM:...40a57ec31a20
NLXIEJRQAIHYPN-SOSXVSKCSA-L 		trans,cis-5-Carboxymethyl-2-hydroxymuconate semialdehyde

keggC:M_C04642 		secondary/obsolete/fantasy identifier