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CHEBI:203952 - Mellisol

ChEBI IDCHEBI:203952
ChEBI NameMellisol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESCC[C@@H]1CC[C@]2(O)OC[C@H]3C(=O)[C@]2(O)[C@H]1O[C@@H]3O
InChIInChI=1S/C12H18O6/c1-2-6-3-4-11(15)12(16)8(13)7(5-17-11)10(14)18-9(6)12/h6-7,9-10,14-16H,2-5H2,1H3/t6-,7+,9+,10+,11+,12+/m1/s1
InChIKeyQCQXKQQKNBNWGY-QWNZBCQASA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tetlet.2004.12.110)
ChEBI Ontology
Outgoing Relation(s)
Mellisol (CHEBI:203952) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,2S,4S,5R,8S,9R)-5-ethyl-2,8,9-trihydroxy-3,12-dioxatricyclo[6.2.2.04,9]dodecan-10-one
Manual XrefsDatabases
78437073ChemSpider