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6-chloro-2-hydroxy-4-carboxymuconate-6-semialdehyde

MNXM10362 is deprecated and here replaced by MNXM1363485
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363485 Image of MNXM1363485
referencemetacycM:CPD-11223
formulaC7H3ClO6
global charge-2
mol weight218.548
InChIKeyRCOPGPSOOZZYBB-NAOWAUKJSA-L
InChIInChI=1S/C7H5ClO6/c8-5(10)2-3(6(11)12)1-4(9)7(13)14/h1-2,9H,(H,11,12)(H,13,14)/p-2/b3-2+,4-1-
SMILESO=C(Cl)/C=C(\C=C(/O)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H5ClO6/c8-5(10)2-3(6(11)12)1-4(9)7(13)14/h1-2,9H,(H,11,12)(H,13,14)/b3-2+,4-1- Image of MNXM1363485
SMILES (mnx)[CH:1](/[C:3](=[CH:2]\[C:5]([Cl:8])=[O:10])[C:6](=[O:11])[OH:12])=[C:4](\[C:7](=[O:13])[OH:14])[OH:9]
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-11223
metacycM:CPD-11223
RCOPGPSOOZZYBB-NAOWAUKJSA-L 		6-chloro-2-hydroxy-4-carboxymuconate-6-semialdehyde