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CHEBI:210122 - Nesteretal A

ChEBI IDCHEBI:210122
ChEBI NameNesteretal A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESC[C@@]12O[C@@]3(C)O[C@]4(C)[C@@H]([C@@]1(O)C[C@@]4(C)O)[C@@]3(O)O2
InChIInChI=1S/C12H18O6/c1-7(13)5-11(14)6-8(7,2)16-10(4)12(6,15)18-9(11,3)17-10/h6,13-15H,5H2,1-4H3/t6-,7+,8+,9-,10+,11-,12+/m0/s1
InChIKeyMPERTYMTWBNYSB-MEPLYZCMSA-N
Species of MetaboliteComponentSourceComments
Nesterenkonia halobia (ncbitaxon:37922) - PubMed (31423796)
ChEBI Ontology
Outgoing Relation(s)
Nesteretal A (CHEBI:210122) is a furofuran (CHEBI:47790)
IUPAC Name 
(1R,2R,3S,5R,6R,8R,10R)-5,6,8,10-tetramethyl-7,9,11-trioxatetracyclo[6.3.0.02,6.03,10]undecane-1,3,5-triol
Manual XrefsDatabases
79300752ChemSpider