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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > indole alkaloid > 11,12-methylenedioxykopsinaline
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > indole alkaloid > 11,12-methylenedioxykopsinaline

Preferred term

11,12-methylenedioxykopsinaline  

Type

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

Broader concept

charge

  • 0

formula

  • C22H26N2O5

inchi

  • InChI=1S/C22H26N2O5/c1-27-18(25)21(26)11-19-5-2-9-24-10-8-20(17(19)24)13-3-4-14-16(29-12-28-14)15(13)23-22(20,21)7-6-19/h3-4,17,23,26H,2,5-12H2,1H3/t17-,19+,20+,21+,22-/m0/s1

inchikey

  • JVIKUDVTJCANPX-NBYDKTAJSA-N

mass

  • 398.459

monoisotopicmass

  • 398.18417

smiles

  • O[C@@]1([C@@]23NC4=C([C@]25[C@]6(N(CC5)CCC[C@]6(C1)CC3)[H])C=CC=7OCOC47)C(OC)=O

subset

  • 2_STAR

synonym EXACT

  • methyl (1S,12R,19R,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-21-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190971

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