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CHEBI:217016 - Phyllostin

ChEBI IDCHEBI:217016
ChEBI NamePhyllostin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O6
Net Charge0
Average Mass242.227
Monoisotopic Mass242.07904
SMILESCOC(=O)C1=C[C@@H](O)[C@@H]2OC(=O)[C@@H](C)O[C@H]2C1
InChIInChI=1S/C11H14O6/c1-5-10(13)17-9-7(12)3-6(11(14)15-2)4-8(9)16-5/h3,5,7-9,12H,4H2,1-2H3/t5-,7-,8+,9+/m1/s1
InChIKeyYRHWCZIEBATYGC-ZLNHGNLKSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta cirsii (ncbitaxon:1986016) - PubMed (18197625)
ChEBI Ontology
Outgoing Relation(s)
Phyllostin (CHEBI:217016) is a dioxanes (CHEBI:46926)
IUPAC Name 
methyl (2R,4aS,5R,8aS)-5-hydroxy-2-methyl-3-oxo-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylate
Manual XrefsDatabases
31122449ChemSpider