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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > dipolar compound > zwitterion > (2r,3s,11r)-n-acetyl-aszonalenin zwitterion
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > (2r,3s,11r)-n-acetyl-aszonalenin zwitterion

Preferred term

(2r,3s,11r)-n-acetyl-aszonalenin zwitterion  

Type

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

Broader concept

charge

  • 0

formula

  • C25H25N3O3

inchi

  • InChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23-,25+/m1/s1

inchikey

  • TXNJQKDZOVFCAQ-XRODADMRSA-N

mass

  • 415.493

monoisotopicmass

  • 415.18959

smiles

  • C=CC(C)(C)[C@]12C[C@]3([H])C(=[NH+]C4=CC=CC=C4C(N3[C@@]1([H])N(C5=CC=CC=C52)C(=O)C)=O)[O-]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192995

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