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CHEBI:222357 - Retipolide D

ChEBI IDCHEBI:222357
ChEBI NameRetipolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H20O10
Net Charge0
Average Mass492.436
Monoisotopic Mass492.10565
SMILESO=C1CC=C(C2=C(O)C(=O)O[C@]23Cc2ccc(cc2)Oc2cc(cc(O)c2O)CCOC3=O)C=CO1
InChIInChI=1S/C26H20O10/c27-18-11-15-7-9-34-25(32)26(13-14-1-4-17(5-2-14)35-19(12-15)22(18)29)21(23(30)24(31)36-26)16-3-6-20(28)33-10-8-16/h1-5,8,10-12,27,29-30H,6-7,9,13H2/t26-/m1/s1
InChIKeyLWWYSZLGCDJPQK-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Retiboletus (ncbitaxon:889442) - DOI (10.1002/ejoc.200700579)
ChEBI Ontology
Outgoing Relation(s)
Retipolide D (CHEBI:222357) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(12R)-3',4,5-trihydroxy-4'-(2-oxo-3H-oxepin-5-yl)spiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3(19),4,6,14,17-hexaene-12,5'-uran]-2',11-dione
Manual XrefsDatabases
78437700ChemSpider