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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > lsm-17341
... > 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 > cyclic ketone > alicyclic ketone > cyclohexenones > lsm-17341
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > lsm-17341

Preferred term

lsm-17341  

Type

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

Broader concept

charge

  • 0

formula

  • C21H26N2O3

inchi

  • InChI=1S/C21H26N2O3/c1-5-9-26-20(25)17-13(2)23-15-10-21(3,4)11-16(24)19(15)18(17)14-7-6-8-22-12-14/h6-8,12,17-18H,5,9-11H2,1-4H3

inchikey

  • BUNHOQIATLWVMQ-UHFFFAOYSA-N

mass

  • 354.444

monoisotopicmass

  • 354.19434

smiles

  • CCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CN=CC=C3

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105980

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