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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 > toxiferine i
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > toxiferine i

Preferred term

toxiferine i  

Type

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

Broader concept

charge

  • +2

formula

  • C40H46N4O2

inchi

  • InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1

inchikey

  • IIYHWTVUYIYKKG-QQRSFBQTSA-N

mass

  • 614.820

monoisotopicmass

  • 614.36098

smiles

  • C[N@@+]12CC[C@@]34[C@@H]1C[C@@H](/C(C2)=C/CO)/C1=C/N2[C@@H]5[C@]6(CC[N@@+]7(C)C/C(=C/CO)[C@H](C[C@@H]67)/C5=C/N([C@H]31)c1ccccc41)c1ccccc21

subset

  • 2_STAR

synonym EXACT

  • Toxiferine I

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9644

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