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CHEBI:205604 - (1S,3S)-3,6,8-trihydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one

ChEBI IDCHEBI:205604
ChEBI Name(1S,3S)-3,6,8-trihydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O5
Net Charge0
Average Mass248.234
Monoisotopic Mass248.06847
SMILESC[C@H]1C[C@H](O)c2oc(=O)c3c(O)cc(O)cc3c21
InChIInChI=1S/C13H12O5/c1-5-2-9(16)12-10(5)7-3-6(14)4-8(15)11(7)13(17)18-12/h3-5,9,14-16H,2H2,1H3/t5-,9-/m0/s1
InChIKeySCFMVUPTCSDHNB-CDUCUWFYSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1039/c6ra16214b)
ChEBI Ontology
Outgoing Relation(s)
(1S,3S)-3,6,8-trihydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one (CHEBI:205604) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(1S,3S)-3,6,8-trihydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
Manual XrefsDatabases
60596879ChemSpider