CHEBI:209861 - Eutypellenone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Eutypellenone A
ChEBI ID CHEBI:209861
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O7
Net Charge 0
Average Mass 458.551
Monoisotopic Mass 458.23045
InChI InChI=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
InChIKey LRSDIYKTWBQBDY-JPWROSBZSA-N
SMILES O=C1C(O)=C2[C@]([C@@H](OC(=O)C)C[C@H]3[C@@]2(O)[C@@]4(C1=C[C@](C=C)(CC4)C)C3)(COC(=O)C(C)C)C
Metabolite of Species Details
Eutypellaspecies D-1 (NCBI:txid1689458) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78441686 ChemSpider
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