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CHEBI:211237 - Pretenellin B

ChEBI IDCHEBI:211237
ChEBI NamePretenellin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23NO4
Net Charge0
Average Mass353.418
Monoisotopic Mass353.16271
SMILESCC[C@@H](C)/C=C(C)/C=C/C(=O)c1c(O)c(-c2ccc(O)cc2)cnc1=O
InChIInChI=1S/C21H23NO4/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(12-22-21(19)26)15-6-8-16(23)9-7-15/h5-13,23H,4H2,1-3H3,(H2,22,25,26)/b10-5+,14-11+/t13-/m1/s1
InChIKeyRUYOCRHCIKMVOH-UCFWAISOSA-N
Species of MetaboliteComponentSourceComments
Beauveria (ncbitaxon:5581) - PubMed (19067514)
ChEBI Ontology
Outgoing Relation(s)
Pretenellin B (CHEBI:211237) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
3-[(2E,4E,6R)-4,6-dimethylocta-2,4-dienoyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one
Manual XrefsDatabases
76791431ChemSpider