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CHEBI:195291 - xyloketal E

ChEBI IDCHEBI:195291
ChEBI Namexyloketal E
Stars
DefinitionA xyloketal with formula C26H36O6. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.
Last Modified8 June 2023
SubmitterAdnan
DownloadsMolfile
FormulaC26H36O6
Net Charge0
Average Mass444.568
Monoisotopic Mass444.25119
SMILES[H][C@]12Cc3c(O)c([C@@]4(C)C[C@@H](C)CO4)c4c(c3O[C@@]1(C)OC[C@@H]2C)C[C@]1([H])[C@@H](C)CO[C@]1(C)O4
InChIInChI=1S/C26H36O6/c1-13-9-24(4,28-10-13)20-21(27)16-7-18-14(2)11-29-25(18,5)31-22(16)17-8-19-15(3)12-30-26(19,6)32-23(17)20/h13-15,18-19,27H,7-12H2,1-6H3/t13-,14+,15+,18-,19-,24-,25-,26-/m1/s1
InChIKeyZNYRREFJIKRTIT-LJJJLYAGSA-N
Species of MetaboliteComponentSourceComments
Xylaria sp. 2508 (ncbitaxon:598750) - PubMed (11559170)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
xyloketal E (CHEBI:195291) is a organic heteropentacyclic compound (CHEBI:38164)
xyloketal E (CHEBI:195291) is a organic hydroxy compound (CHEBI:33822)
xyloketal E (CHEBI:195291) is a xyloketal (CHEBI:195287)
IUPAC Name 
(3R,3aR,7aR,10R,10aR,12aR)-6-[(2R,4R)-2,4-dimethyltetrahydrofuran-2-yl]-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol
Synonym  Source
(3R,3aR,7aR,10R,10aR,12aR)-6-[(2R,4R)-2,4-dimethyloxolan-2-yl]-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-difuro[3,2-e:3,2-e']benzo[1,2-b:5,6-b']dipyran-5-olIUPAC
Citations