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CHEBI:220133 - Papyracillic acid C

ChEBI IDCHEBI:220133
ChEBI NamePapyracillic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESCOC1=CC(=O)OC12O[C@](C)(OC)[C@H](C)[C@@H]2CO
InChIInChI=1S/C12H18O6/c1-7-8(6-13)12(18-11(7,2)16-4)9(15-3)5-10(14)17-12/h5,7-8,13H,6H2,1-4H3/t7-,8+,11+,12?/m1/s1
InChIKeyLEILYYLHAKWKHN-ZEHYGMGASA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - DOI (10.1002/ejoc.200700348)
ChEBI Ontology
Outgoing Relation(s)
Papyracillic acid C (CHEBI:220133) is a ketal (CHEBI:59777)
IUPAC Name 
(2S,3R,4R)-4-(hydroxymethyl)-2,9-dimethoxy-2,3-dimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
Manual XrefsDatabases
78442723ChemSpider