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CHEBI:211997 - Pretenellin A

ChEBI IDCHEBI:211997
ChEBI NamePretenellin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO4
Net Charge0
Average Mass355.434
Monoisotopic Mass355.17836
SMILESCC[C@@H](C)/C=C(C)/C=C/C(O)=C1C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C21H25NO4/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(22-21(19)26)12-15-6-8-16(23)9-7-15/h5-11,13,17,23-24H,4,12H2,1-3H3,(H,22,26)/b10-5+,14-11+,19-18?/t13-,17+/m1/s1
InChIKeyUHGQPXFZDZCXRO-WHLPDFMQSA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (18266306)
ChEBI Ontology
Outgoing Relation(s)
Pretenellin A (CHEBI:211997) is a phenols (CHEBI:33853)
IUPAC Name 
(5S)-3-[(2E,4E,6R)-1-hydroxy-4,6-dimethylocta-2,4-dienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
Manual XrefsDatabases
78436212ChemSpider