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CHEBI:206707 - Spiropreubetaomerin A

ChEBI IDCHEBI:206707
ChEBI NameSpiropreubetaomerin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O5
Net Charge0
Average Mass334.327
Monoisotopic Mass334.08412
SMILESOc1ccc2c(c1)C1(Oc3cccc4cccc(c34)O1)[C@@H]1O[C@@H]1[C@@H]2O
InChIInChI=1S/C20H14O5/c21-11-7-8-12-13(9-11)20(19-18(23-19)17(12)22)24-14-5-1-3-10-4-2-6-15(25-20)16(10)14/h1-9,17-19,21-22H/t17-,18-,19-/m1/s1
InChIKeyWVZWQAVVNMSFEX-GUDVDZBRSA-N
Species of MetaboliteComponentSourceComments
Preussiaspecies (in: ascomycete fungi) (ncbitaxon:1715257) - PubMed (19708679)
ChEBI Ontology
Outgoing Relation(s)
Spiropreubetaomerin A (CHEBI:206707) is a tetralins (CHEBI:36786)
IUPAC Name 
(1'aR,7'R,7'aR)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,2'-7,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-4',7'-diol
Manual XrefsDatabases
24678553ChemSpider