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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 > laccarin a
organooxygen compound > laccarin a

Preferred term

laccarin a  

Type

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

Broader concept

charge

  • 0

formula

  • C14H21N3O3

has_functional_parent

inchi

  • InChI=1S/C14H21N3O3/c1-8-5-7-17(10(19)4-3-6-15)13-11(9(2)18)14(20)16-12(8)13/h8,12H,3-7,15H2,1-2H3,(H,16,20)/t8-,12+/m0/s1

inchikey

  • VXFFZKQBHIIPCJ-QPUJVOFHSA-N

mass

  • 279.340

monoisotopicmass

  • 279.15829

smiles

  • O=C1N[C@@H]2[C@H](CCN(C2=C1C(=O)C)C(=O)CCCN)C

subset

  • 2_STAR

synonym EXACT

  • (7S,7aR)-3-acetyl-4-(4-aminobutanoyl)-7-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridin-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198158

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