27 28  0  0  0  0  0  0  0  0999 V2000
   19.3738  -18.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3678  -17.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1575  -19.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1575  -16.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9414  -18.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9414  -17.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253  -16.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5102  -15.9979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1589  -15.2891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3711  -14.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5819  -15.2917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.7941  -14.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0048  -15.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2170  -14.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4276  -15.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6398  -14.5985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8507  -15.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0629  -14.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8492  -16.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6370  -17.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4310  -16.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2188  -17.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2173  -18.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4281  -19.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6403  -18.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0053  -19.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5804  -16.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  6  1  0     0  0
 13 14  1  0     0  0
  6  7  1  0     0  0
 14 15  1  0     0  0
  7  8  3  0     0  0
 15 16  1  0     0  0
  5  6  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
  4  9  1  0     0  0
 17 19  1  0     0  0
  1  2  1  0     0  0
 19 20  1  0     0  0
  9 10  1  0     0  0
  1  3  2  0     0  0
 10 11  1  0     0  0
  2  4  2  0     0  0
 11 12  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 20  1  0     0  0
  3  5  1  0     0  0
 23 26  1  0     0  0
 12 13  1  0     0  0
 27 11  1  0     0  0
M  END
> <ID>
CHEBI:4800

> <NAME>
Epanolol

> <STAR>
2

> <SYNONYM>
ICI-141,292; Epanolol

> <FORMULA>
C20H23N3O4

> <MASS>
369.415

> <MONOISOTOPIC_MASS>
369.16886

> <CHARGE>
0

> <SMILES>
OC(CNCCNC(=O)Cc1ccc(O)cc1)COc1ccccc1C#N

> <INCHI>
InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)

> <INCHIKEY>
YARKMNAWFIMDKV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
86880-51-5

> <KEGG_COMPOUND_ACCESSION>
C11773

> <KEGG_DRUG_ACCESSION>
D06646

$$$$