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Concept information

Preferred term

esmeraldic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H22N4O5

inchi

  • InChI=1S/C30H22N4O5/c1-13-15-6-3-10-20-28(15)34(21-11-5-8-17(29(36)37)25(21)32-20)22-12-18(30(38)39)26-27(23(13)22)33-24-16(14(2)35)7-4-9-19(24)31-26/h3-14,32,35H,1-2H3,(H,36,37)(H,38,39)

inchikey

  • WTSDJSFJEHPIOD-UHFFFAOYSA-N

mass

  • 518.521

monoisotopicmass

  • 518.15902

smiles

  • CC(O)c1cccc2nc3c(cc4N5c6cccc(C(O)=O)c6Nc6cccc(C(C)c4c3nc12)c56)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • Esmeraldic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29580

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