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CHEBI:209861 - Eutypellenone A

Default Structure
ChEBI IDCHEBI:209861
ChEBI NameEutypellenone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESC=C[C@@]1(C)C=C2C(=O)C(O)=C3[C@@]4(O)[C@H](C[C@H](OC(C)=O)[C@]3(C)COC(=O)C(C)C)C[C@]24CC1
InChIInChI=1S/C26H34O7/c1-7-23(5)8-9-25-11-16-10-18(33-15(4)27)24(6,13-32-22(30)14(2)3)21(26(16,25)31)20(29)19(28)17(25)12-23/h7,12,14,16,18,29,31H,1,8-11,13H2,2-6H3/t16-,18+,23-,24+,25-,26+/m1/s1
InChIKeyLRSDIYKTWBQBDY-JPWROSBZSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (29949353)
ChEBI Ontology
Outgoing Relation(s)
Eutypellenone A (CHEBI:209861) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1R,4S,10S,11S,13S,15R)-11-acetyloxy-4-ethenyl-8,15-dihydroxy-4,10-dimethyl-7-oxo-10-tetracyclo[7.5.1.01,6.013,15]pentadeca-5,8-dienyl]methyl 2-methylpropanoate
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78441686ChemSpider