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CHEBI:214062 - Eutypellenoid A

ChEBI IDCHEBI:214062
ChEBI NameEutypellenoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O8
Net Charge0
Average Mass474.550
Monoisotopic Mass474.22537
SMILESC=C[C@@]1(C)C=C2C(=O)C(O)=C3[C@](C)(COC(=O)C(C)C)[C@H](OC(C)=O)C[C@H]4CO[C@]2(CC1)[C@@]34O
InChIInChI=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
InChIKeyNPLMEFDXIMEPNJ-VSYWCIPPSA-N
Species of MetaboliteComponentSourceComments
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (30115869)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78441743ChemSpider