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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alternarizine b
organooxygen compound > alternarizine b

Preferred term

alternarizine b  

Type

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

Broader concept

charge

  • 0

formula

  • C25H30N2O4

has_functional_parent

inchi

  • InChI=1S/C25H30N2O4/c1-17(2)13-14-31-21-11-7-18(8-12-21)15-22-25(29)27(3)23(24(28)26-22)16-19-5-9-20(30-4)10-6-19/h5-13,22-23H,14-16H2,1-4H3,(H,26,28)/t22-,23-/m0/s1

inchikey

  • JITDHMNQRKIKJY-GOTSBHOMSA-N

mass

  • 422.525

monoisotopicmass

  • 422.22056

smiles

  • O=C1N([C@H](C(=O)N[C@H]1CC2=CC=C(OCC=C(C)C)C=C2)CC3=CC=C(OC)C=C3)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6S)-6-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213117

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