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CHEBI:200874 - Papyracillic acid

ChEBI IDCHEBI:200874
ChEBI NamePapyracillic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESC=C1[C@H](C)[C@](C)(O)O[C@]12OC(=O)C=C2OC
InChIInChI=1S/C11H14O5/c1-6-7(2)11(16-10(6,3)13)8(14-4)5-9(12)15-11/h5-6,13H,2H2,1,3-4H3/t6-,10+,11+/m0/s1
InChIKeyUEYMIBGYKZFDMD-MQOMDTIOSA-N
Species of MetaboliteComponentSourceComments
Lachnum papyraceum (ncbitaxon:397620) - DOI (10.1016/0040-4020(96)00559-5)
ChEBI Ontology
Outgoing Relation(s)
Papyracillic acid (CHEBI:200874) is a ketal (CHEBI:59777)
IUPAC Name 
(2R,3S,5S)-2-hydroxy-9-methoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one
Manual XrefsDatabases
31111239ChemSpider