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CHEBI:214483 - Chaephilone E

ChEBI IDCHEBI:214483
ChEBI NameChaephilone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31ClO6
Net Charge0
Average Mass438.948
Monoisotopic Mass438.18092
SMILESCO[C@@]1([C@H](C)[C@@H](C)O)C[C@H]2C3=COC(/C=C/[C@@H](C)[C@@H](C)O)=CC3=C(Cl)C(=O)[C@@]2(C)O1
InChIInChI=1S/C23H31ClO6/c1-12(14(3)25)7-8-16-9-17-18(11-29-16)19-10-23(28-6,13(2)15(4)26)30-22(19,5)21(27)20(17)24/h7-9,11-15,19,25-26H,10H2,1-6H3/b8-7+/t12-,13-,14-,15-,19+,22+,23+/m1/s1
InChIKeyJKTQHBZSCNQGSN-RDDZJUFHSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (32022970)
ChEBI Ontology
Outgoing Relation(s)
Chaephilone E (CHEBI:214483) is a ketal (CHEBI:59777)
IUPAC Name 
(6aS,8S,9aS)-5-chloro-8-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-8-methoxy-6a-methyl-9,9a-dihydrouro[2,3-h]isochromen-6-one