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CHEBI:201329 - LL-49F233alpha

ChEBI IDCHEBI:201329
ChEBI NameLL-49F233alpha
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO4
Net Charge0
Average Mass413.558
Monoisotopic Mass413.25661
SMILESC/C=C/C=C/C1C(C)=CC2CC(C)CCC2C1(C)C(O)=C1C(=O)C(CO)N(C)C1=O
InChIInChI=1S/C25H35NO4/c1-6-7-8-9-18-16(3)13-17-12-15(2)10-11-19(17)25(18,4)23(29)21-22(28)20(14-27)26(5)24(21)30/h6-9,13,15,17-20,27,29H,10-12,14H2,1-5H3/b7-6+,9-8+,23-21?
InChIKeyGQYNYOOJEMDNNZ-PHQXVBMFSA-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)
LL-49F233alpha (CHEBI:201329) is a N-alkylpyrrolidine (CHEBI:46775)
IUPAC Name 
5-(hydroxymethyl)-3-[hydroxy-[1,3,6-trimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methylidene]-1-methylpyrrolidine-2,4-dione
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