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CHEBI:205499 - Retipolide C

ChEBI IDCHEBI:205499
ChEBI NameRetipolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H20O9
Net Charge0
Average Mass476.437
Monoisotopic Mass476.11073
SMILESO=C1CC=C(C2=C(O)C(=O)O[C@]23Cc2ccc(cc2)Oc2cc(ccc2O)CCOC3=O)C=CO1
InChIInChI=1S/C26H20O9/c27-19-7-3-15-9-11-33-25(31)26(14-16-1-5-18(6-2-16)34-20(19)13-15)22(23(29)24(30)35-26)17-4-8-21(28)32-12-10-17/h1-7,10,12-13,27,29H,8-9,11,14H2/t26-/m1/s1
InChIKeyFKQNYEXLUKHOFA-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Retiboletus (ncbitaxon:889442) - DOI (10.1002/ejoc.200700579)
ChEBI Ontology
Outgoing Relation(s)
Retipolide C (CHEBI:205499) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(12R)-3',4-dihydroxy-4'-(2-oxo-3H-oxepin-5-yl)spiro[2,10-dioxatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaene-12,5'-uran]-2',11-dione
Manual XrefsDatabases
78437295ChemSpider