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Concept information

Preferred term

cephalimysin j  

Type

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

Broader concept

charge

  • 0

formula

  • C22H23NO7

inchi

  • InChI=1S/C22H23NO7/c1-4-14-10-11-15(24)20(14)12(2)16(25)21(30-20)18(27)22(29-3,23-19(21)28)17(26)13-8-6-5-7-9-13/h5-12,14,18,27H,4H2,1-3H3,(H,23,28)/t12-,14+,18+,20-,21+,22+/m0/s1

inchikey

  • UUQBLSTUKNFCFG-CDQZKLRJSA-N

mass

  • 413.426

monoisotopicmass

  • 413.14745

smiles

  • O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@@H]([C@@]13O[C@@]4(C(=O)C=C[C@H]4CC)[C@H](C3=O)C)O

subset

  • 2_STAR

synonym EXACT

  • (1R,5R,7S,10S,11R,13R)-10-benzoyl-1-ethyl-11-hydroxy-10-methoxy-13-methyl-6-oxa-9-azadispiro[4.1.47.25]tridec-2-ene-4,8,12-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206379

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