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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 > carbon group molecular entity > organic molecular entity > organic molecule > dipolar compound > zwitterion > fumisoquin b zwitterion
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > fumisoquin b zwitterion

Preferred term

fumisoquin b zwitterion  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16N2O8S

inchi

  • InChI=1S/C13H16N2O8S/c14-7-3-8(16)10-12(18)5-1-2-9(23-24(20,21)22)11(17)6(5)4-15(10)13(7)19/h1-2,7-8,10,12,16-18H,3-4,14H2,(H,20,21,22)/t7-,8-,10+,12+/m0/s1

inchikey

  • BGFQBPLLFWLCBB-ZOWUKKRWSA-N

is_tautomer_of

mass

  • 360.340

monoisotopicmass

  • 360.06274

smiles

  • [H][C@]12[C@@H](O)C[C@H]([NH3+])C(=O)N1CC1=C(C=CC(OS([O-])(=O)=O)=C1O)[C@H]2O

subset

  • 3_STAR

synonym EXACT

  • (1S,3S,11R,11aR)-3-azaniumyl-1,7,11-trihydroxy-4-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinolin-8-yl sulfate

synonym RELATED

  • (1S,3S,11R,11aR)-3-azaniumyl-1,7,11-trihydroxy-4-oxo-1H,2H,3H,4H,6H,11H,11aH-pyrido[1,2-b]isoquinolin-8-yl sulfate
  • fumisoquin B

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167200

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