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Concept information

Preferred term

at2433-b3  

Type

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

Broader concept

charge

  • 0

formula

  • C28H25N3O7

inchi

  • InChI=1S/C28H25N3O7/c1-30-26(35)19-17-12-7-3-5-9-14(12)29-21(17)22-18(20(19)27(30)36)13-8-4-6-10-15(13)31(22)28-24(34)23(33)25(37-2)16(11-32)38-28/h3-10,16,23-25,28-29,32-34H,11H2,1-2H3/t16-,23-,24-,25-,28-/m1/s1

inchikey

  • DCJDTHHXEQWNBO-KWHOMZPESA-N

mass

  • 515.522

monoisotopicmass

  • 515.16925

smiles

  • O=C1N(C(=O)C2=C1C3=C(N([C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO)C5=C3C=CC=C5)C6=C2C7=C(C=CC=C7)N6)C

subset

  • 2_STAR

synonym EXACT

  • 3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198343

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