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CHEBI:217212 - 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid

ChEBI IDCHEBI:217212
ChEBI Name2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H13NO4
Net Charge0
Average Mass199.206
Monoisotopic Mass199.08446
SMILESCOCc1ccc(CO)n1CC(=O)O
InChIInChI=1S/C9H13NO4/c1-14-6-8-3-2-7(5-11)10(8)4-9(12)13/h2-3,11H,4-6H2,1H3,(H,12,13)
InChIKeyORQNDWHICGCUSP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leccinum extremiorientale (ncbitaxon:178529) - DOI (10.1007/s10600-015-1394-5)
ChEBI Ontology
Outgoing Relation(s)
2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid (CHEBI:217212) has functional parent α-amino acid (CHEBI:33704)
2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid (CHEBI:217212) is a organonitrogen compound (CHEBI:35352)
2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid (CHEBI:217212) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-(hydroxymethyl)-5-(methoxymethyl)pyrrol-1-yl]acetic acid
Manual XrefsDatabases
78435710ChemSpider