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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 > (2e)-11-(4'-aminophenyl)-5,9-o-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > (2e)-11-(4'-aminophenyl)-5,9-o-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid
... > 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 > (2e)-11-(4'-aminophenyl)-5,9-o-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid
... > 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 > (2e)-11-(4'-aminophenyl)-5,9-o-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > (2e)-11-(4'-aminophenyl)-5,9-o-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid

Preferred term

(2e)-11-(4'-aminophenyl)-5,9-o-cyclo-4,6,8-trimethyl-11-oxo-undec-2-enoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H27NO4

inchi

  • InChI=1S/C20H27NO4/c1-12(4-9-19(23)24)20-14(3)10-13(2)18(25-20)11-17(22)15-5-7-16(21)8-6-15/h4-9,12-14,18,20H,10-11,21H2,1-3H3,(H,23,24)/b9-4+/t12?,13-,14-,18+,20-/m1/s1

inchikey

  • RHBKNRVHUONUJZ-GCVWEONUSA-N

mass

  • 345.439

monoisotopicmass

  • 345.19401

smiles

  • O=C(O)/C=C/C([C@H]1O[C@H]([C@H](C)C[C@H]1C)CC(=O)C2=CC=C(N)C=C2)C

subset

  • 2_STAR

synonym EXACT

  • (E)-4-[(2S,3R,5R,6S)-6-[2-(4-aminophenyl)-2-oxoethyl]-3,5-dimethyloxan-2-yl]pent-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210196

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