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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > fd-838
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > fd-838
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > fd-838
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > fd-838
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > fd-838

Preferred term

fd-838  

Type

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

Broader concept

charge

  • 0

formula

  • C22H21NO7

inchi

  • InChI=1S/C22H21NO7/c1-4-14-10-11-15(29-14)16-12(2)17(24)21(30-16)19(26)22(28-3,23-20(21)27)18(25)13-8-6-5-7-9-13/h5-11,19,26H,4H2,1-3H3,(H,23,27)

inchikey

  • PXIIDWGMSCTXAQ-UHFFFAOYSA-N

mass

  • 411.410

monoisotopicmass

  • 411.13180

smiles

  • O=C1NC(OC)(C(=O)C2=CC=CC=C2)C(C13OC(C=4OC(CC)=CC4)=C(C3=O)C)O

subset

  • 2_STAR

synonym EXACT

  • (5S,8S,9R)-8-benzoyl-2-(5-ethyluran-2-yl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201640

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