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Chemistry, part 1

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > amino acid > alpha-amino acid > non-proteinogenic alpha-amino acid > betanidin
... > organooxygen compound > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > non-proteinogenic alpha-amino acid > betanidin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > non-proteinogenic alpha-amino acid > betanidin
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > alpha-amino acid > non-proteinogenic alpha-amino acid > betanidin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amino acid > alpha-amino acid > non-proteinogenic alpha-amino acid > betanidin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amino acid > alpha-amino acid > non-proteinogenic alpha-amino acid > betanidin
... > organooxygen compound > carbonyl compound > carboxylic acid > amino acid > non-proteinogenic amino acid > non-proteinogenic alpha-amino acid > betanidin
... > organooxygen compound > carbon oxoacid > carboxylic acid > amino acid > non-proteinogenic amino acid > non-proteinogenic alpha-amino acid > betanidin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > non-proteinogenic amino acid > non-proteinogenic alpha-amino acid > betanidin
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > non-proteinogenic amino acid > non-proteinogenic alpha-amino acid > betanidin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amino acid > non-proteinogenic amino acid > non-proteinogenic alpha-amino acid > betanidin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amino acid > non-proteinogenic amino acid > non-proteinogenic alpha-amino acid > betanidin

Preferred term

betanidin  

Type

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

Broader concept

charge

  • 0

formula

  • C18H16N2O8

inchi

  • InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/t11-,13-/m0/s1

inchikey

  • BBJUSJOGHYQDQX-AAEUAGOBSA-N

mass

  • 388.32832

monoisotopicmass

  • 388.09067

smiles

  • [H]C(=CN1[C@@H](Cc2cc(O)c(O)cc12)C(O)=O)C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • (2S)-4-{2-[(2S)-2-carboxy-5,6-dihydroxy-2,3-dihydro-1H-indol-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
  • Betanidin

synonym RELATED

  • (1E,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1H-indolium-2-carboxylate
  • 2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3079

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