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CHEBI:225689 - Alternatone A

ChEBI IDCHEBI:225689
ChEBI NameAlternatone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESO=C1C[C@@H]2[C@@H]3C(=O)c4c(O)cccc4[C@@H]([C@@H]3O)[C@@H]2c2cccc(O)c21
InChIInChI=1S/C20H16O5/c21-11-5-1-3-8-14-10(7-13(23)15(8)11)18-19(24)16-9(17(14)20(18)25)4-2-6-12(16)22/h1-6,10,14,17-18,20-22,25H,7H2/t10-,14+,17+,18+,20-/m0/s1
InChIKeyJGTRUZSFUZQJBG-NEUAYCJXSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - PubMed (31659905)
ChEBI Ontology
Outgoing Relation(s)
Alternatone A (CHEBI:225689) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,2R,11S,12S,20S)-7,15,20-trihydroxypentacyclo[10.7.1.02,11.03,8.014,19]icosa-3(8),4,6,14(19),15,17-hexaene-9,13-dione
Manual XrefsDatabases
81360793ChemSpider