Ketcher 03141615382D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
    9.7901   -4.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7901   -5.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5221   -4.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6561   -6.0319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5221   -5.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6561   -4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3881   -4.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2542   -4.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9241   -6.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9241   -4.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6561   -3.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7901   -2.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5221   -2.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8439   -6.0002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0     0  0
  2  1  2  0     0  0
  9  2  1  0     0  0
  7  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  5  4  2  0     0  0
  1  6  1  0     0  0
  6  3  2  0     0  0
 11  6  1  0     0  0
  8  7  1  0     0  0
 13 11  1  0     0  0
 11 12  2  0     0  0
M  END
> <ID>
CHEBI:131529

> <NAME>
pyridoxal hydrochloride

> <DEFINITION>
A hydrochloride obtained by combining pyridoxal with one molar equivalent of hydrochloric acid.

> <STAR>
3

> <SYNONYM>
Vitamin B6 hydrochloride; Pyridoxal HCl; 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde, hydrochloride; 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride

> <IUPAC_NAME>
4-formyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium chloride; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde hydrochloride

> <FORMULA>
C8H10ClNO3

> <MASS>
203.623

> <MONOISOTOPIC_MASS>
203.03492

> <CHARGE>
0

> <SMILES>
C1(O)=C(C)N=CC(CO)=C1C([H])=O.Cl

> <INCHI>
InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H

> <INCHIKEY>
FCHXJFJNDJXENQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
65-22-5

> <REAXYS_REGISTRY_NUMBER>
3656994

> <CHEMIDPLUS>
65-22-5

> <WIKIPEDIA_ACCESSION>
Pyridoxal

> <PUBMED_CITATION>
26196932

$$$$