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Concept information

Preferred term

Validoxylamine A(1+)  

Type

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

charge

  • +1

formula

  • C14H26NO8

inchi

  • InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/p+1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1

inchikey

  • YCJYNBLLJHFIIW-MBABXGOBSA-O

mass

  • 336.359

monoisotopicmass

  • 336.16529

smiles

  • C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)[NH2+][C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O

subset

  • 3_STAR

synonym EXACT

  • (1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111505

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