Marvin  03190914032D          

 25 29  0  0  0  0            999 V2000
    9.3018  -13.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9261  -12.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5104  -12.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2408  -12.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9504  -12.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6809  -12.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4114  -12.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0166  -12.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6200  -13.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0375  -14.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6200  -15.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0166  -15.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4114  -16.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6809  -16.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9504  -16.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2408  -16.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5104  -16.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9261  -15.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3018  -15.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844  -14.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1157  -13.5868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8061  -13.5868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8061  -15.2981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1157  -15.2981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9504  -11.5305    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
 13 14  1  0  0  0  0
 23 14  1  0  0  0  0
 24 16  2  0  0  0  0
 17 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 11 12  1  0  0  0  0
 10 11  2  0  0  0  0
  9 10  1  0  0  0  0
 22  9  2  0  0  0  0
  8  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7  6  1  0  0  0  0
  5  6  2  0  0  0  0
  4  5  1  0  0  0  0
 21  4  1  0  0  0  0
  3  4  2  0  0  0  0
  1 21  1  0  0  0  0
  2  1  2  0  0  0  0
 20  1  1  0  0  0  0
  3  2  1  0  0  0  0
 19 20  2  0  0  0  0
 24 19  1  0  0  0  0
 18 19  1  0  0  0  0
 18 17  2  0  0  0  0
  5 25  1  0  0  0  0
M  END
> <ID>
CHEBI:52197

> <NAME>
5-borylporphyrin

> <STAR>
3

> <SYNONYM>
5-borylporphine

> <IUPAC_NAME>
5-boranylporphyrin

> <FORMULA>
C20H15BN4

> <MASS>
322.17100

> <MONOISOTOPIC_MASS>
322.13898

> <CHARGE>
0

> <SMILES>
Bc1c2ccc(cc3ccc(cc4ccc(cc5ccc1[nH]5)n4)[nH]3)n2

> <INCHI>
InChI=1S/C20H15BN4/c21-20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11,22,25H,21H2/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+

> <INCHIKEY>
YOCYALJMOMMNNJ-DRCNEUIKSA-N

$$$$