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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > (+)-(r,2e,4z)-7-(4'-(dimethylamino)phenyl)-4,6-dimethyl-7-oxohepta-2,4-dienoic acid

Preferred term

(+)-(r,2e,4z)-7-(4'-(dimethylamino)phenyl)-4,6-dimethyl-7-oxohepta-2,4-dienoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C17H21NO3

inchi

  • InChI=1S/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/t13-/m1/s1

inchikey

  • VKEITMNFEJHFCX-CYBMUJFWSA-N

mass

  • 287.359

monoisotopicmass

  • 287.15214

smiles

  • O=C(O)C=CC(=C[C@H](C(=O)C1=CC=C(N(C)C)C=C1)C)C

subset

  • 2_STAR

synonym EXACT

  • (6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223251

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