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Concept information

Preferred term

بروکازین B  

Type

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

charge

  • 0

formula

  • C18H18N2O6S2

inchi

  • InChI=1S/C18H18N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1,3,7-8,11-14,23-24H,2,4-6H2/t7-,8+,11+,12+,13+,14+,17-,18-/m1/s1

inchikey

  • NOMAQNRAYYWNOP-IMHILIGISA-N

mass

  • 422.470

monoisotopicmass

  • 422.06063

smiles

  • S1S[C@]23N([C@@H]4[C@@H](O)CCC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)C=CC([C@H]6C5)=O)C3=O)=O

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,5S,9S,11R,14S,15S,19R)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-ene-2,8,12,18-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209395

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