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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 > ammonium ion derivative > 7'-o-demethylcephaeline(2+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > 7'-o-demethylcephaeline(2+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > 7'-o-demethylcephaeline(2+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > 7'-o-demethylcephaeline(2+)

Preferred term

7'-o-demethylcephaeline(2+)  

Type

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

Broader concept

charge

  • +2

formula

  • C27H38N2O4

inchi

  • InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/p+2/t16-,19-,22+,23-/m0/s1

inchikey

  • HGQNZTBYUKKJLH-IKPGRFEGSA-P

mass

  • 454.610

monoisotopicmass

  • 454.28206

smiles

  • C=1C(=C(C=C2C1CC[NH+]3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])[NH2+]CCC=5C4=CC(=C(C5)O)O)CC)OC)OC

subset

  • 2_STAR

synonym RELATED

  • 7'-O-demethylcephaeline

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231589

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