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CHEBI:229186 - O7-Angeloylretronecine

ChEBI IDCHEBI:229186
ChEBI NameO7-Angeloylretronecine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19NO3
Net Charge0
Average Mass237.299
Monoisotopic Mass237.13649
SMILESC/C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)C12
InChIInChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12?/m1/s1
InChIKeyTYGYPIIOOQNWBU-YKSZOPSQSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
O7-Angeloylretronecine (CHEBI:229186) is a citraconoyl group (CHEBI:23315)
IUPAC Name 
[(1R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
4477288ChemSpider