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Concept information

Preferred term

pyridoxatin  

Type

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

charge

  • 0

formula

  • C15H21NO3

inchi

  • InChI=1S/C15H21NO3/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16(19)15(14)18/h4-6,9-11,13,17,19H,1,7-8H2,2-3H3/t9-,10+,11-,13-/m0/s1

inchikey

  • OQJADHLOEAOIGC-NOHGZBONSA-N

mass

  • 263.33210

monoisotopicmass

  • 263.15214

smiles

  • C[C@H]1C[C@@H](C)[C@@H]([C@H](C1)C=C)c1c(O)ccn(O)c1=O

subset

  • 3_STAR

synonym EXACT

  • 3-[(1S,2R,4S,6R)-6-ethenyl-2,4-dimethylcyclohexyl]-1,4-dihydroxypyridin-2(1H)-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84035

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