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Chemistry, part 1

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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 > js-3
organooxygen compound > js-3

Preferred term

js-3  

Type

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

Broader concept

charge

  • 0

formula

  • C14H16N2O4

has_functional_parent

inchi

  • InChI=1S/C14H16N2O4/c17-11-4-3-8(7-12(11)18)6-9-14(20)16-5-1-2-10(16)13(19)15-9/h3-4,7,9-10,17-18H,1-2,5-6H2,(H,15,19)/t9-,10-/m0/s1

inchikey

  • QSFBICASXGBTSB-UWVGGRQHSA-N

mass

  • 276.292

monoisotopicmass

  • 276.11101

smiles

  • O=C1N2[C@H](C(=O)N[C@H]1CC3=CC(O)=C(O)C=C3)CCC2

subset

  • 2_STAR

synonym EXACT

  • (3S,8aS)-3-[(3,4-dihydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226878

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