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CHEBI:177816 - 6,8-Dihydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]-1H-isochromen-1-one

ChEBI IDCHEBI:177816
ChEBI Name6,8-Dihydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]-1H-isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O6
Net Charge0
Average Mass278.260
Monoisotopic Mass278.07904
SMILESCC(=O)C[C@@H](O)Cc1cc2cc(O)cc(O)c2c(=O)o1
InChIInChI=1S/C14H14O6/c1-7(15)2-9(16)5-11-4-8-3-10(17)6-12(18)13(8)14(19)20-11/h3-4,6,9,16-18H,2,5H2,1H3/t9-/m1/s1
InChIKeyOSPHTXUUCFLMQA-SECBINFHSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
6,8-Dihydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]-1H-isochromen-1-one (CHEBI:177816) is a isocoumarins (CHEBI:38758)
IUPAC Name 
6,8-dihydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]isochromen-1-one
Manual XrefsDatabases
31143389ChemSpider