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3-carboxy-2-hydroxymuconate semialdehyde

MNXM3461 is deprecated and here replaced by MNXM1371577
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371577 Image of MNXM1371577
referencemetacycM:CPD-247
formulaC7H4O6
global charge-2
mol weight184.103
InChIKeyQTJJMXJJLLAWNP-PMRVSPHWSA-L
InChIInChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/p-2/b2-1+,5-4+
SMILESO=C/C=C/C(C(=O)[O-])=C(\O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b2-1+,5-4+ Image of MNXM1371577
SMILES (mnx)[CH:1](=[CH:2]/[C:4](=[C:5](/[C:7](=[O:12])[OH:13])[OH:9])[C:6](=[O:10])[OH:11])\[CH:3]=[O:8]
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
IdentifierDescription

metacyc.compound:CPD-247
metacycM:CPD-247
QTJJMXJJLLAWNP-PMRVSPHWSA-L 		3-carboxy-2-hydroxymuconate semialdehyde