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CHEBI:197864 - Preubetaomerin EG2

ChEBI IDCHEBI:197864
ChEBI NamePreubetaomerin EG2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O7
Net Charge0
Average Mass366.325
Monoisotopic Mass366.07395
SMILESO=C1C[C@@H](O)[C@]23Oc4ccc(O)c5c4[C@](CCC5=O)(Oc4cccc1c42)O3
InChIInChI=1S/C20H14O7/c21-10-4-5-14-18-16(10)11(22)6-7-19(18)25-13-3-1-2-9-12(23)8-15(24)20(26-14,27-19)17(9)13/h1-5,15,21,24H,6-8H2/t15-,19-,20-/m1/s1
InChIKeyAVMACGCGOJSYTD-CDHQVMDDSA-N
Species of MetaboliteComponentSourceComments
Edenia gomezpompae (ncbitaxon:461172) - PubMed (18234248)
ChEBI Ontology
Outgoing Relation(s)
Preubetaomerin EG2 (CHEBI:197864) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,11R,20R)-6,20-dihydroxy-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
78439568ChemSpider