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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > paulomycin g
organooxygen compound > paulomycin g

Preferred term

paulomycin g  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22N2O11S

has_functional_parent

inchi

  • InChI=1S/C20H22N2O11S/c1-4-9(22-6-34)19(29)33-14-7(2)31-17(13(25)15(14)32-8(3)23)20(30)5-10(24)12(21)11(16(20)26)18(27)28/h4,7,13-15,17,21,25-26,30H,5H2,1-3H3,(H,27,28)/b9-4-,21-12?/t7-,13-,14-,15+,17-,20-/m1/s1

inchikey

  • WNALUYRAGNJCGO-KRHVDNSKSA-N

mass

  • 498.460

monoisotopicmass

  • 498.09443

smiles

  • S=C=N/C(/C(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H](O)[C@H]([C@]2(O)C(O)=C(C(=N)C(C2)=O)C(=O)O)O[C@@H]1C)=C/C

subset

  • 2_STAR

synonym EXACT

  • (3S)-3-[(2R,3R,4S,5R,6R)-4-acetyloxy-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-6-methyloxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212883

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