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CHEBI:205606 - (1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one

ChEBI IDCHEBI:205606
ChEBI Name(1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O6
Net Charge0
Average Mass264.233
Monoisotopic Mass264.06339
SMILESC[C@@H]1c2c(oc(=O)c3c(O)cc(O)cc23)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H12O6/c1-4-8-6-2-5(14)3-7(15)9(6)13(18)19-12(8)11(17)10(4)16/h2-4,10-11,14-17H,1H3/t4-,10+,11+/m1/s1
InChIKeyGVOFWQAJXGRHRR-REAJZDTOSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1039/c6ra16214b)
ChEBI Ontology
Outgoing Relation(s)
(1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one (CHEBI:205606) is a isocoumarins (CHEBI:38758)
IUPAC Name 
(1R,2S,3S)-2,3,6,8-tetrahydroxy-1-methyl-2,3-dihydro-1H-cyclopenta[c]isochromen-5-one
Manual XrefsDatabases
60596881ChemSpider