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CHEBI:199962 - Luteusin E

ChEBI IDCHEBI:199962
ChEBI NameLuteusin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27ClO6
Net Charge0
Average Mass458.938
Monoisotopic Mass458.14962
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)CC(C)O)=C3C2=CO1
InChIInChI=1S/C25H27ClO6/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-31-16)21-20(19(28)10-15(4)27)24(30)32-25(21,5)23(29)22(17)26/h7-9,11-13,15,27H,6,10H2,1-5H3/b8-7+,14-9+/t13-,15?,25-/m0/s1
InChIKeyXFZRKXHYEWJKIR-XIKCMEHRSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (8998836)
ChEBI Ontology
Outgoing Relation(s)
Luteusin E (CHEBI:199962) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aS)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-9-(3-hydroxybutanoyl)-6a-methyluro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
8179932ChemSpider