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4-Fluoromuconolactone

PropertiesImage
MNX_IDMNXM6880 Image of MNXM6880
referencechebi:80518
formulaC6H5FO4
global charge0
mol weight160.1
InChIKeyJWTRAEIUKUKVDW-UHFFFAOYSA-N
InChIInChI=1S/C6H5FO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)
SMILESO=C(O)CC1(F)C=CC(=O)O1
MNX internals
InChI (mnx)InChI=1/C6H5FO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)/t6? Image of MNXM6880
SMILES (mnx)[CH:1]1=[CH:2][C:6]([CH2:3][C:4](=[O:8])[OH:9])([F:7])[O:11][C:5]1=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

envipath:...3473a32c8c4d
envipathM:...3473a32c8c4d
seed.compound:cpd15180
seedM:cpd15180
sabiork.compound:23008
sabiorkM:23008
CHEBI:80518
chebi:80518
kegg.compound:C16476
keggC:C16476
JWTRAEIUKUKVDW-UHFFFAOYSA-M
JWTRAEIUKUKVDW-UHFFFAOYSA-N
4-Fluoromuconolactone

keggC:M_C16476
seedM:M_cpd15180
secondary/obsolete/fantasy identifier