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Chemistry, part 1

Content language

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Concept information

organooxygen compound > paulomycin d

Preferred term

paulomycin d  

Type

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

Broader concept

charge

  • 0

formula

  • C31H40N2O17S

has_functional_parent

inchi

  • InChI=1S/C31H40N2O17S/c1-7-16(33-11-51)29(41)50-24-18(10-45-14(4)34)48-27(30(42)9-17(36)22(32)21(26(30)38)28(39)40)23(37)25(24)49-20-8-19(44-6)31(43,13(3)47-20)12(2)46-15(5)35/h7,12-13,18-20,23-25,27,32,37-38,42-43H,8-10H2,1-6H3,(H,39,40)/b16-7+,32-22?/t12-,13-,18+,19-,20-,23+,24+,25-,27+,30+,31+/m0/s1

inchikey

  • VYCJZTYLSDXQFX-POLHNZIWSA-N

mass

  • 744.720

monoisotopicmass

  • 744.20477

smiles

  • S=C=N/C(/C(=O)O[C@H]1[C@@H](O[C@@H]2O[C@H]([C@](O)([C@@H](OC(=O)C)C)[C@H](C2)OC)C)[C@@H](O)[C@H]([C@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@@H]1COC(=O)C)=C/C

subset

  • 2_STAR

synonym EXACT

  • (3S)-3-[(2R,3R,4S,5R,6R)-4-[(2R,4S,5S,6S)-5-[(1S)-1-acetyloxyethyl]-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-(acetyloxymethyl)-3-hydroxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222195

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