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CHEBI:203254 - Atlantinone A

ChEBI IDCHEBI:203254
ChEBI NameAtlantinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O6
Net Charge0
Average Mass442.552
Monoisotopic Mass442.23554
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(O)[C@]1(C)C(C)=C[C@H]1[C@@]34CC[C@H](OC3=O)C(C)(C)[C@H]4CC[C@@]12C
InChIInChI=1S/C26H34O6/c1-13-12-16-23(5,26(21(30)31-7)19(28)14(2)18(27)24(13,26)6)10-8-15-22(3,4)17-9-11-25(15,16)20(29)32-17/h12,15-17,27H,8-11H2,1-7H3/t15-,16-,17+,23+,24+,25+,26-/m1/s1
InChIKeyLGIBRQVYYFOBSF-OGMOAHJASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (20450206)
ChEBI Ontology
Outgoing Relation(s)
Atlantinone A (CHEBI:203254) is a organic heterotricyclic compound (CHEBI:26979)
Atlantinone A (CHEBI:203254) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl (1S,2R,5R,9R,10S,13R,15S)-6-hydroxy-4,5,7,10,14,14-hexamethyl-8,17-dioxo-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-3,6-diene-9-carboxylate