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Concept information

Preferred term

bromoroquefortine d  

Type

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

Broader concept

charge

  • 0

formula

  • C22H24BrN5O2

inchi

  • InChI=1S/C22H24BrN5O2/c1-4-21(2,3)22-9-17-18(29)26-16(8-13-10-24-11-25-13)19(30)28(17)20(22)27-15-6-5-12(23)7-14(15)22/h4-7,10-11,16-17,20,27H,1,8-9H2,2-3H3,(H,24,25)(H,26,29)/t16?,17-,20?,22+/m0/s1

inchikey

  • GXPQEDBRIAXLLL-WONBWXIOSA-N

mass

  • 470.371

monoisotopicmass

  • 469.11134

smiles

  • BrC1=CC2=C(NC3[C@@]2(C(C=C)(C)C)C[C@H]4C(=O)NC(C(N34)=O)CC=5NC=NC5)C=C1

subset

  • 2_STAR

synonym EXACT

  • (7S,9R)-12-bromo-4-(1H-imidazol-5-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10(15),11,13-triene-3,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216557

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