CHEBI:214062 - Eutypellenoid 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 Eutypellenoid A
ChEBI ID CHEBI:214062
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O8
Net Charge 0
Average Mass 474.550
Monoisotopic Mass 474.22537
InChI InChI=1S/C26H34O8/c1-7-23(5)8-9-25-17(11-23)19(28)20(29)21-24(6,13-32-22(30)14(2)3)18(34-15(4)27)10-16(12-33-25)26(21,25)31/h7,11,14,16,18,29,31H,1,8-10,12-13H2,2-6H3/t16-,18+,23+,24+,25-,26-/m0/s1
InChIKey NPLMEFDXIMEPNJ-VSYWCIPPSA-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)OC3)(COC(=O)C(C)C)C
Metabolite of Species Details
Eutypellaspecies D-1 (NCBI:txid1689458) See: PubMed
ChEBI Ontology
Outgoing Eutypellenoid A (CHEBI:214062) is a cyclohexenones (CHEBI:48953)
IUPAC Name
[(1S,4S,10R,11R,13S,16S)-11-acetyloxy-4-ethenyl-8,16-dihydroxy-4,10-dimethyl-7-oxo-15-oxatetracyclo[7.6.1.01,6.013,16]hexadeca-5,8-dien-10-yl]methyl 2-methylpropanoate
Manual Xref Database
78441743 ChemSpider
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