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3-Methylpyrrole-2,4-dicarboxylic acid

PropertiesImage
MNX_IDMNXM10066 Image of MNXM10066
referencechebi:31119
formulaC7H7NO4
global charge0
mol weight169.136
InChIKeyDVIKMLHVAWYDMS-UHFFFAOYSA-N
InChIInChI=1S/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2,8H,1H3,(H,9,10)(H,11,12)
SMILESCC1=C(C(=O)O)NC=C1C(=O)O
MNX internals
InChI (mnx)InChI=1/C7H7NO4/c1-3-4(6(9)10)2-8-5(3)7(11)12/h2,8H,1H3,(H,9,10)(H,11,12) Image of MNXM10066
SMILES (mnx)[CH3:1][C:3]1=[C:5]([C:7](=[O:11])[OH:12])[NH:8][CH:2]=[C:4]1[C:6](=[O:9])[OH:10]
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

seed.compound:cpd09220
seedM:cpd09220
CHEBI:31119
chebi:31119
kegg.compound:C12477
keggC:C12477
DVIKMLHVAWYDMS-UHFFFAOYSA-L
DVIKMLHVAWYDMS-UHFFFAOYSA-N
3-Methylpyrrole-2,4-dicarboxylic acid

keggC:M_C12477
seedM:M_cpd09220
secondary/obsolete/fantasy identifier