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CHEBI:205286 - Preubetaomerin EG4

ChEBI IDCHEBI:205286
ChEBI NamePreubetaomerin EG4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O6
Net Charge0
Average Mass350.326
Monoisotopic Mass350.07904
SMILESO=C1CC[C@]23Oc4ccc(O)c5c4[C@](CCC5=O)(Oc4cccc1c42)O3
InChIInChI=1S/C20H14O6/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/h1-5,22H,6-9H2/t19-,20-/m1/s1
InChIKeyWMPKVLZMOLUZGC-WOJBJXKFSA-N
Species of MetaboliteComponentSourceComments
Edenia gomezpompae (ncbitaxon:461172) - PubMed (24689520)
ChEBI Ontology
Outgoing Relation(s)
Preubetaomerin EG4 (CHEBI:205286) is a tetralins (CHEBI:36786)
IUPAC Name 
(1R,11R)-6-hydroxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,13,15,17(22)-hexaene-8,18-dione
Manual XrefsDatabases
78441908ChemSpider