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Concept information

Preferred term

cp-471,326  

Type

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

Broader concept

charge

  • 0

formula

  • C19H19NO4

inchi

  • InChI=1S/C19H19NO4/c1-12(8-9-21)17-19(2,11-22)15-16(23)14(10-20-18(15)24-17)13-6-4-3-5-7-13/h3-8,10-11,17,21H,9H2,1-2H3,(H,20,23)/b12-8+/t17-,19-/m1/s1

inchikey

  • KKYNFPYTLOXXDI-PWNOGMSSSA-N

mass

  • 325.364

monoisotopicmass

  • 325.13141

smiles

  • O=C1C(C2=CC=CC=C2)=CNC3=C1[C@@](C=O)([C@@H](/C(=C/CO)/C)O3)C

subset

  • 2_STAR

synonym EXACT

  • (2R,3R)-2-[(E)-4-hydroxybut-2-en-2-yl]-3-methyl-4-oxo-5-phenyl-2,7-dihydrouro[2,3-b]pyridine-3-carbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219997

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