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CHEBI:211961 - Preubetaomerin EG1

ChEBI IDCHEBI:211961
ChEBI NamePreubetaomerin EG1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O6
Net Charge0
Average Mass348.310
Monoisotopic Mass348.06339
SMILESO=C1C=C[C@]23Oc4ccc(O)c5c4[C@](CCC5=O)(Oc4cccc1c42)O3
InChIInChI=1S/C20H12O6/c21-11-6-8-19-17-10(11)2-1-3-14(17)24-20(26-19)9-7-13(23)16-12(22)4-5-15(25-19)18(16)20/h1-6,8,22H,7,9H2/t19-,20-/m1/s1
InChIKeyNWZQCHXERIECGW-WOJBJXKFSA-N
Species of MetaboliteComponentSourceComments
Edenia gomezpompae (ncbitaxon:461172) - PubMed (18234248)
ChEBI Ontology
Outgoing Relation(s)
Preubetaomerin EG1 (CHEBI:211961) is a tetralins (CHEBI:36786)
IUPAC Name 
(1R,11R)-16-hydroxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3,5,7(23),9,13(22),14,16-heptaene-8,18-dione
Manual XrefsDatabases
24689519ChemSpider