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CHEBI:198391 - LL-Z1640-6

ChEBI IDCHEBI:198391
ChEBI NameLL-Z1640-6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O6
Net Charge0
Average Mass292.287
Monoisotopic Mass292.09469
SMILESCOc1cc(O)c2c(=O)oc(C[C@@H](O)CC(C)=O)cc2c1
InChIInChI=1S/C15H16O6/c1-8(16)3-10(17)6-12-5-9-4-11(20-2)7-13(18)14(9)15(19)21-12/h4-5,7,10,17-18H,3,6H2,1-2H3/t10-/m0/s1
InChIKeyKOGIETXRGNNQCS-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Penicillium nalgiovense (ncbitaxon:60175) - DOI (10.1021/jo00406a007)
ChEBI Ontology
Outgoing Relation(s)
LL-Z1640-6 (CHEBI:198391) is a isocoumarins (CHEBI:38758)
IUPAC Name 
8-hydroxy-3-(2-hydroxy-4-oxopentyl)-6-methoxyisochromen-1-one
Manual XrefsDatabases
78435327ChemSpider