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Concept information

Preferred term

bioxalomycin alpha2  

Type

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

charge

  • 0

formula

  • C21H27N3O5

inchi

  • InChI=1S/C21H27N3O5/c1-8-17(25)13-12(18(26)19(8)27-3)11-7-29-21-10-6-9-14(22(10)2)16(24(11)21)15(13)23-4-5-28-20(9)23/h9-11,14-16,20-21,25-26H,4-7H2,1-3H3/t9-,10-,11-,14+,15+,16+,20+,21+/m0/s1

inchikey

  • ZPHGBBFZDUZEDN-WCJYBVMLSA-N

mass

  • 401.463

monoisotopicmass

  • 401.19507

smiles

  • O1[C@H]2N3[C@H]4[C@H](N5CCO[C@@H]5[C@H]6C[C@@H]2N(C)[C@@H]46)C=7C([C@@H]3C1)=C(O)C(OC)=C(C)C7O

subset

  • 2_STAR

synonym EXACT

  • (1R,3R,6R,13R,18R,19S,21S,23R)-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.02,6.03,21.07,12.014,18.019,23]tricosa-7(12),8,10-triene-8,11-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200080

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