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Concept information

Preferred term

پلاتنسیمایسین B3  

Type

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

charge

  • 0

formula

  • C23H27NO5

has_functional_parent

inchi

  • InChI=1S/C23H27NO5/c1-21(8-7-18(28)24-19-14(25)4-3-5-15(19)26)17(27)6-9-23-11-13-10-16(20(21)23)29-22(13,2)12-23/h3-6,9,13,16,20,25-26H,7-8,10-12H2,1-2H3,(H,24,28)/t13-,16+,20+,21-,22+,23+/m1/s1

inchikey

  • VAXBYZCUDVPKHJ-YIBOSTEYSA-N

mass

  • 397.46420

monoisotopicmass

  • 397.18892

smiles

  • [H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)cccc2O)[C@]31[H]

subset

  • 3_STAR

synonym EXACT

  • N-(2,6-dihydroxyphenyl)-3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68245

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