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CHEBI:195290 - xyloketal D

ChEBI IDCHEBI:195290
ChEBI Namexyloketal D
Stars
DefinitionA xyloketal with formula C15H18O4. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.
Last Modified8 June 2023
SubmitterAdnan
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILES[H][C@@]12Cc3c(ccc(C(C)=O)c3O)O[C@]1(C)OC[C@H]2C
InChIInChI=1S/C15H18O4/c1-8-7-18-15(3)12(8)6-11-13(19-15)5-4-10(9(2)16)14(11)17/h4-5,8,12,17H,6-7H2,1-3H3/t8-,12+,15+/m1/s1
InChIKeyIIAGASOFCPRGKH-XHYYPMHDSA-N
Species of MetaboliteComponentSourceComments
Xylaria sp. 2508 (ncbitaxon:598750) - PubMed (11559170)
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
xyloketal D (CHEBI:195290) is a methyl ketone (CHEBI:51867)
xyloketal D (CHEBI:195290) is a organic heterotricyclic compound (CHEBI:26979)
xyloketal D (CHEBI:195290) is a organic hydroxy compound (CHEBI:33822)
xyloketal D (CHEBI:195290) is a xyloketal (CHEBI:195287)
IUPAC Name 
1-[(3S,3aS,9aS)-5-hydroxy-3,9a-dimethyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b]chromen-6-yl]ethanone
Synonym  Source
1-[(3S,3aS,9aS)-5-hydroxy-3,9a-dimethyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b][1]benzopyran-6-yl]ethan-1-oneIUPAC
Citations