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CHEBI:204771 - Preubetaomerin A

ChEBI IDCHEBI:204771
ChEBI NamePreubetaomerin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O7
Net Charge0
Average Mass366.325
Monoisotopic Mass366.07395
SMILESOc1ccc2c3c1[C@@H](O)[C@H]1O[C@H]1[C@]31Oc3cccc4c3[C@](C=C[C@@H]4O)(O2)O1
InChIInChI=1S/C20H14O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-7,9,16-18,21-23H/t9-,16+,17+,18+,19+,20-/m0/s1
InChIKeyYYUIJBSRPPKHNR-YIHIMSTHSA-N
Species of MetaboliteComponentSourceComments
Preussia (ncbitaxon:265084) - DOI (10.1021/jo00014a007)
ChEBI Ontology
Outgoing Relation(s)
Preubetaomerin A (CHEBI:204771) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,2R,4R,5R,12R,15S)-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),13,16(23),17,19-heptaene-5,7,15-triol
Manual XrefsDatabases
10196222ChemSpider