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CHEBI:202421 - CJ-21,058

ChEBI IDCHEBI:202421
ChEBI NameCJ-21,058
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33NO4
Net Charge0
Average Mass387.520
Monoisotopic Mass387.24096
SMILESC/C=C/C1C(C)=CC2CC(C)CCC2C1(C)/C(O)=C1/C(=O)C(CO)N(C)C1=O
InChIInChI=1S/C23H33NO4/c1-6-7-16-14(3)11-15-10-13(2)8-9-17(15)23(16,4)21(27)19-20(26)18(12-25)24(5)22(19)28/h6-7,11,13,15-18,25,27H,8-10,12H2,1-5H3/b7-6+,21-19+
InChIKeyZTPMRDYXXHRMRU-QTEVMKNISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
CJ-21,058 (CHEBI:202421) is a N-alkylpyrrolidine (CHEBI:46775)
IUPAC Name 
(3E)-5-(hydroxymethyl)-3-[hydroxy-[1,3,6-trimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methylidene]-1-methylpyrrolidine-2,4-dione
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