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Concept information

Preferred term

28-n-methylikarugamycin  

Type

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

charge

  • 0

formula

  • C30H40N2O4

inchi

  • InChI=1S/C30H40N2O4/c1-4-19-17(2)15-23-21(19)11-12-22-20-7-5-9-27(34)31-14-6-8-25-29(35)28(30(36)32(25)3)26(33)13-10-18(20)16-24(22)23/h5,9-13,17-25,33H,4,6-8,14-16H2,1-3H3,(H,31,34)/b9-5-,13-10?,28-26?/t17-,18-,19-,20+,21+,22-,23+,24+,25+/m1/s1

inchikey

  • OZOYWVDYIKBBMO-XNWMKNEKSA-N

mass

  • 492.660

monoisotopicmass

  • 492.29881

smiles

  • O=C1NCCC[C@@H]2N(C(=O)C(C2=O)=C(O)C=C[C@H]3[C@H](CC=C1)[C@H]4C=C[C@H]5[C@H](CC)[C@@H](C[C@@H]5[C@H]4C3)C)C

subset

  • 2_STAR

synonym EXACT

  • (5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201816

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