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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > cation > organic cation > deacetylipecoside(1+)
... > chemical entity > molecular entity > ion > organic ion > organic cation > deacetylipecoside(1+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > deacetylipecoside(1+)

Preferred term

deacetylipecoside(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C25H34NO11

inchi

  • InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3/p+1/t12-,14+,16-,19-,20-,21+,22-,24+,25+/m1/s1

inchikey

  • MTAVTRZTGFLKSC-MDXCLUIBSA-O

is_conjugate_acid_of

mass

  • 524.53760

monoisotopicmass

  • 524.21264

smiles

  • [H][C@]1(C[C@@]2([H])[C@@H](C=C)[C@@H](OC=C2C(=O)OC)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[NH2+]CCc2cc(O)c(O)cc12

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4S)-3-ethenyl-4-{[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolinium-1-yl]methyl}-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-2-yl beta-D-glucopyranoside

synonym RELATED

  • deacetylipecoside cation
  • N-deacetylipecoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:58379

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