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CHEBI:59977 - neopentyl glycosyl pyrrole

ChEBI IDCHEBI:59977
ChEBI Nameneopentyl glycosyl pyrrole
Stars
DefinitionA pyrrole having neopentyl-, formyl- and 1,2,3-trihydroxypropyl groups at positions 1-, 2- and 3- respectively.
Last Modified5 August 2010
SubmitterSteve
DownloadsMolfile
FormulaC13H21NO4
Net Charge0
Average Mass255.314
Monoisotopic Mass255.14706
SMILESCC(C)(C)Cn1ccc(C(O)C(O)CO)c1C=O
InChIInChI=1S/C13H21NO4/c1-13(2,3)8-14-5-4-9(10(14)6-15)12(18)11(17)7-16/h4-6,11-12,16-18H,7-8H2,1-3H3
InChIKeySCHOZSZMRGHVKQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
neopentyl glycosyl pyrrole (CHEBI:59977) is a pyrroles (CHEBI:26455)
neopentyl glycosyl pyrrole (CHEBI:59977) is a triol (CHEBI:27136)
IUPAC Name 
1-(2,2-dimethylpropyl)-3-(1,2,3-trihydroxypropyl)-1H-pyrrole-2-carbaldehyde
Citations