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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > ochratoxin b(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > ochratoxin b(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > ochratoxin b(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > monocarboxylic acid anion > ochratoxin b(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > monocarboxylic acid anion > ochratoxin b(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > ochratoxin b(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > ochratoxin b(1-)

Preferred term

ochratoxin b(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C20H18NO6

inchi

  • InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/p-1/t11-,15+/m1/s1

inchikey

  • DAEYIVCTQUFNTM-ABAIWWIYSA-M

is_conjugate_base_of

mass

  • 368.366

monoisotopicmass

  • 368.11396

smiles

  • C[C@@H]1CC2=CC=C(C(=O)N[C@@H](CC3=CC=CC=C3)C([O-])=O)C(O)=C2C(=O)O1

subset

  • 3_STAR

synonym EXACT

  • (2S)-2-({[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}amino)-3-phenylpropanoate

synonym RELATED

  • (2S)-2-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoate
  • ochratoxin B
  • ochratoxin B anion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192526

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