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CHEBI:225296 - Papyracillic acid methyl Acetal

ChEBI IDCHEBI:225296
ChEBI NamePapyracillic acid methyl Acetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESC=C1[C@H](C)[C@](C)(OC)O[C@]12OC(=O)C=C2OC
InChIInChI=1S/C12H16O5/c1-7-8(2)12(17-11(7,3)15-5)9(14-4)6-10(13)16-12/h6-7H,2H2,1,3-5H3/t7-,11+,12+/m0/s1
InChIKeyKXOFTNMGLNQQNY-UPZJHPNMSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - DOI (10.1016/0040-4020(96)00559-5)
ChEBI Ontology
Outgoing Relation(s)
Papyracillic acid methyl Acetal (CHEBI:225296) is a ketal (CHEBI:59777)
IUPAC Name 
(2R,3S,5S)-2,9-dimethoxy-2,3-dimethyl-4-methylidene-1,6-dioxaspiro[4.4]non-8-en-7-one
Manual XrefsDatabases
31111241ChemSpider