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Concept information

Preferred term

cephalimysin d  

Type

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

Broader concept

charge

  • 0

formula

  • C22H21NO7

inchi

  • InChI=1S/C22H21NO7/c1-4-14-10-11-15(29-14)16-12(2)17(24)21(30-16)19(26)22(28-3,23-20(21)27)18(25)13-8-6-5-7-9-13/h5-11,19,26H,4H2,1-3H3,(H,23,27)/t19-,21-,22+/m0/s1

inchikey

  • PXIIDWGMSCTXAQ-ILWGZMRPSA-N

mass

  • 411.410

monoisotopicmass

  • 411.13180

smiles

  • O=C1N[C@@](OC)(C(=O)C2=CC=CC=C2)[C@H]([C@]13OC(C=4OC(CC)=CC4)=C(C3=O)C)O

subset

  • 2_STAR

synonym EXACT

  • (5R,8S,9S)-8-benzoyl-2-(5-ethyluran-2-yl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200239

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