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Concept information

Preferred term

فلاویپساید بی  

Type

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

Broader concept

charge

  • +1

formula

  • C42H43ClN5O8

inchi

  • InChI=1S/C42H42ClN5O8/c1-24-20-31-34(39(51)36(24)43)38(50)33-32(56-31)23-30(49)37(35(33)42(54)55-5)47-19-17-27(46-47)16-18-44-40(52)28(21-25-12-8-6-9-13-25)45-41(53)29(48(2,3)4)22-26-14-10-7-11-15-26/h6-15,17,19-20,23,28-29H,16,18,21-22H2,1-5H3,(H3-,44,45,49,50,51,52,53)/p+1/t28-,29-/m0/s1

inchikey

  • MPHIGQSBTKUCRT-VMPREFPWSA-O

mass

  • 781.280

monoisotopicmass

  • 780.27947

smiles

  • ClC1=C(O)C=2C(=O)C3=C(C(N4N=C(CCNC(=O)[C@@H](NC(=O)[C@@H]([N+](C)(C)C)CC5=CC=CC=C5)CC6=CC=CC=C6)C=C4)=C(O)C=C3OC2C=C1C)C(=O)OC

subset

  • 2_STAR

synonym EXACT

  • [(2S)-1-[[(2S)-1-[2-[1-(7-chloro-3,8-dihydroxy-1-methoxycarbonyl-6-methyl-9-oxoxanthen-2-yl)pyrazol-3-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-trimethylazanium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217086

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