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Concept information

Preferred term

ریزوماید C  

Type

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

charge

  • 0

formula

  • C35H53N7O11

inchi

  • InChI=1S/C35H53N7O11/c1-16(2)13-24(38-21(8)44)32(49)42-28-20(7)53-35(52)27(17(3)4)41-30(47)19(6)37-33(50)26(15-43)40-29(46)18(5)36-31(48)25(39-34(28)51)14-22-9-11-23(45)12-10-22/h9-12,16-20,24-28,43,45H,13-15H2,1-8H3,(H,36,48)(H,37,50)(H,38,44)(H,39,51)(H,40,46)(H,41,47)(H,42,49)/t18-,19-,20-,24+,25-,26+,27+,28+/m1/s1

inchikey

  • KUBAMHGGFPLMHY-RMFMANMUSA-N

mass

  • 747.847

monoisotopicmass

  • 747.38031

smiles

  • O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C)C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)C)=O)CO)=O)CC2=CC=C(O)C=C2)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-acetamido-N-[(3S,6R,9S,12R,15R,18S,19R)-9-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-6,12,19-trimethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-4-methylpentanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219579

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