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Chemistry, part 2

Content language

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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 > alkaloid > pyrrolizidine alkaloid > monocrotaline

Preferred term

monocrotaline  

Type

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

Broader concept

charge

  • 0

formula

  • C16H23NO6

inchi

  • InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1

inchikey

  • QVCMHGGNRFRMAD-XFGHUUIASA-N

mass

  • 325.35696

monoisotopicmass

  • 325.15254

smiles

  • [H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@](C)(O)[C@@H](C)C(=O)O1)[C@]23[H]

subset

  • 3_STAR

synonym EXACT

  • (3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • Monocrotaline

synonym RELATED

  • (13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione
  • Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate
  • Testosterone oenanthate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:6980

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