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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 > amino-acid derivative > phenylalanine derivative > ochratoxin a1

Preferred term

ochratoxin a1  

Type

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

Broader concept

charge

  • 0

formula

  • C24H26ClNO9

inchi

  • InChI=1S/C24H26ClNO9/c1-12-7-14-16(25)9-15(21(30)20(14)24(33)35-12)22(31)26-17(8-13-5-3-2-4-6-13)23(32)34-11-19(29)18(28)10-27/h2-6,9,12,17-19,27-30H,7-8,10-11H2,1H3,(H,26,31)/t12-,17+,18?,19?/m0/s1

inchikey

  • VMQAPVWHIUVGBG-LUNZSTNZSA-N

mass

  • 507.920

monoisotopicmass

  • 507.12961

smiles

  • ClC1=C2C(C(=O)O[C@H](C2)C)=C(O)C(=C1)C(=O)N[C@@H](C(=O)OCC(O)C(O)CO)CC3=CC=CC=C3

subset

  • 2_STAR

synonym EXACT

  • 2,3,4-trihydroxybutyl (2R)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220838

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