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CHEBI:219975 - Phyllostine acetate

ChEBI IDCHEBI:219975
ChEBI NamePhyllostine acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O5
Net Charge0
Average Mass196.158
Monoisotopic Mass196.03717
SMILESCC(=O)OCC1=CC(=O)[C@H]2O[C@H]2C1=O
InChIInChI=1S/C9H8O5/c1-4(10)13-3-5-2-6(11)8-9(14-8)7(5)12/h2,8-9H,3H2,1H3/t8-,9+/m1/s1
InChIKeyOFIASLDXZOETAM-BDAKNGLRSA-N
Species of MetaboliteComponentSourceComments
Diaporthe miriciae (ncbitaxon:1537734) - PubMed (31696600)
ChEBI Ontology
Outgoing Relation(s)
Phyllostine acetate (CHEBI:219975) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
[(1R,6S)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate
Manual XrefsDatabases
57429835ChemSpider