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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > 6-o-methyl-n-deacetylipecoside(1+)
... > chemical entity > molecular entity > ion > organic ion > organic anion > 6-o-methyl-n-deacetylipecoside(1+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > 6-o-methyl-n-deacetylipecoside(1+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium ion derivative > 6-o-methyl-n-deacetylipecoside(1+)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > 6-o-methyl-n-deacetylipecoside(1+)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > 6-o-methyl-n-deacetylipecoside(1+)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > 6-o-methyl-n-deacetylipecoside(1+)

Preferred term

6-o-methyl-n-deacetylipecoside(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C26H36NO11

has_functional_parent

inchi

  • InChI=1S/C26H35NO11/c1-4-13-15(8-17-14-9-18(29)19(34-2)7-12(14)5-6-27-17)16(24(33)35-3)11-36-25(13)38-26-23(32)22(31)21(30)20(10-28)37-26/h4,7,9,11,13,15,17,20-23,25-32H,1,5-6,8,10H2,2-3H3/p+1/t13-,15+,17-,20-,21-,22+,23-,25+,26+/m1/s1

inchikey

  • BAMBZZTUDRDYEE-YVJMXFEMSA-O

mass

  • 538.569

monoisotopicmass

  • 538.22829

smiles

  • [C@]1([NH2+]CCC2=C1C=C(O)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)(C=C)[H])[H])[H]

subset

  • 2_STAR

synonym RELATED

  • 6-O-methyl-N-deacetylipecoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229558

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