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Concept information

Preferred term

انتروباکتین (6)  

Type

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

Broader concept

charge

  • -6

formula

  • C30H21N3O15

inchi

  • InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/p-6/t16-,17-,18-/m0/s1

inchikey

  • SERBHKJMVBATSJ-BZSNNMDCSA-H

is_conjugate_base_of

mass

  • 663.49896

monoisotopicmass

  • 663.10056

smiles

  • [O-]c1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c2cccc([O-])c2[O-])NC(=O)c2cccc([O-])c2[O-])c1[O-]

subset

  • 3_STAR

synonym EXACT

  • 3,3',3''-{[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(iminocarbonyl)}tribenzene-1,2-diolate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:38150

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