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CHEBI:181019 - [5-Chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate

ChEBI IDCHEBI:181019
ChEBI Name[5-Chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26ClNO6
Net Charge0
Average Mass447.915
Monoisotopic Mass447.14487
SMILESC/C=C/C=C/C=C/c1cc2c(cn1)C(=O)C(C)(OC(=O)CC(O)CC(C)O)C(O)=C2Cl
InChIInChI=1S/C23H26ClNO6/c1-4-5-6-7-8-9-15-11-17-18(13-25-15)21(29)23(3,22(30)20(17)24)31-19(28)12-16(27)10-14(2)26/h4-9,11,13-14,16,26-27,30H,10,12H2,1-3H3/b5-4+,7-6+,9-8+
InChIKeyYIGXPIUPFFVJRJ-ZAJAATJQSA-N
ChEBI Ontology
Outgoing Relation(s)
[5-Chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate (CHEBI:181019) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
[5-chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate