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CHEBI:168972 - 1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone

ChEBI IDCHEBI:168972
ChEBI Name1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESCC(=O)C1(C)CC2(O)OC(C)(C(C)=O)OC2(C)O1
InChIInChI=1S/C12H18O6/c1-7(13)9(3)6-12(15)11(5,16-9)17-10(4,18-12)8(2)14/h15H,6H2,1-5H3
InChIKeyTXTNKDRGVWKECN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone (CHEBI:168972) is a ketal (CHEBI:59777)
IUPAC Name 
1-(2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-uro[2,3-d][1,3]dioxol-5-yl)ethanone
Manual XrefsDatabases
167940ChemSpider
HMDB0032527HMDB
Registry NumbersSources
CAS:18114-49-3ChemIDplus