18 19  0  0  0  0  0  0  0  0999 V2000
   27.7200  -21.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4600  -22.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7200  -20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9100  -22.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2000  -21.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4600  -23.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4600  -19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9100  -19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1700  -21.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2000  -20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9400  -19.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.8900  -18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2400  -20.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6400  -18.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5000  -22.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3400  -21.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5000  -19.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1700  -20.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
 11 14  1  0     0  0
  7 10  1  0     0  0
  9 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  9 18  2  0     0  0
M  END
> <ID>
CHEBI:10082

> <NAME>
Xylometazoline

> <STAR>
2

> <SYNONYM>
xylometazoline hydrochloride; xylometazoline HCl; Xylometazoline; rhinoxilin; otrivine

> <FORMULA>
C16H24N2; C16H24N2

> <MASS>
244.376

> <MONOISOTOPIC_MASS>
244.19395

> <CHARGE>
0

> <SMILES>
Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C

> <INCHI>
InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)

> <INCHIKEY>
HUCJFAOMUPXHDK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
526-36-3

> <KEGG_COMPOUND_ACCESSION>
C07913

> <KEGG_DRUG_ACCESSION>
D08684

> <LINCS_ACCESSION>
LSM-5262

$$$$