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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > [5-chloro-3-[(1e,3e,5e)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > [5-chloro-3-[(1e,3e,5e)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > [5-chloro-3-[(1e,3e,5e)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > [5-chloro-3-[(1e,3e,5e)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > [5-chloro-3-[(1e,3e,5e)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate

Preferred term

[5-chloro-3-[(1e,3e,5e)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C23H26ClNO6

inchi

  • InChI=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+

inchikey

  • YIGXPIUPFFVJRJ-ZAJAATJQSA-N

mass

  • 447.910

monoisotopicmass

  • 447.14487

smiles

  • ClC1=C(O)C(OC(=O)CC(O)CC(O)C)(C(=O)C2=C1C=C(N=C2)/C=C/C=C/C=C/C)C

subset

  • 2_STAR

synonym EXACT

  • [5-chloro-3-[(1E,3E,5E)-hepta-1,3,5-trienyl]-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] 3,5-dihydroxyhexanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181019

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