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CHEBI:169694 - (+/-)-Rollipyrrole

ChEBI IDCHEBI:169694
ChEBI Name(+/-)-Rollipyrrole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O3
Net Charge0
Average Mass288.347
Monoisotopic Mass288.14739
SMILESC=CC1=C(C)C(=O)NC1(/C=C1\NC(=O)C(CC)=C1C)OC
InChIInChI=1S/C16H20N2O3/c1-6-11-9(3)13(17-15(11)20)8-16(21-5)12(7-2)10(4)14(19)18-16/h7-8H,2,6H2,1,3-5H3,(H,17,20)(H,18,19)/b13-8-
InChIKeyRDWKBPHIFOCLKH-JYRVWZFOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(+/-)-Rollipyrrole (CHEBI:169694) is a pyrroline (CHEBI:23763)
IUPAC Name 
4-ethenyl-5-[(Z)-(4-ethyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-5-methoxy-3-methyl-1H-pyrrol-2-one
Manual XrefsDatabases
35014429ChemSpider
HMDB0037554HMDB