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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 > penicillatide b
organooxygen compound > penicillatide b

Preferred term

penicillatide b  

Type

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

Broader concept

charge

  • 0

formula

  • C14H16N2O3

has_functional_parent

inchi

  • InChI=1S/C14H16N2O3/c17-12-11-7-4-8-16(11)13(18)14(19,15-12)9-10-5-2-1-3-6-10/h1-3,5-6,11,19H,4,7-9H2,(H,15,17)/t11-,14+/m1/s1

inchikey

  • VXNIFVLSWOZUNG-RISCZKNCSA-N

mass

  • 260.293

monoisotopicmass

  • 260.11609

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S,8aR)-3-benzyl-3-hydroxy-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216210

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