ChEBI
  Marvin  08050815432D          

 40 42  0  0  0  0            999 V2000
   -2.6766   -7.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3911   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3911   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5332   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5332   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1812   -7.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8957   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1812   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477   -7.9107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477   -9.5607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8957   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6102   -9.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3246   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0391   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7536   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7536   -9.1482    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4681   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1825   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8970   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3259   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0404   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7549   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4694   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4694   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1838   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8983   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6128   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3272   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3272   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0417   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7562   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4707   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1851   -8.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1851   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8996   -9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
 13  5  1  0  0  0  0
  6  5  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  2  0  0  0  0
  7 13  2  0  0  0  0
 11  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 14 11  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  2  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 34  2  0  0  0  0
 34 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  2  0  0  0  0
 39 38  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <ID>
CHEBI:29118

> <NAME>
methanophenazine

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14589; CHEBI:11460; CHEBI:29628

> <SYNONYM>
methanophenazine; Methanophenazine; 2-(2,3-Dihydropentaprenyloxy)phenazine; 2-(2,3-Dihydro-all-trans-tetraprenyloxy)phenazine; 2-(2,3-Dihydro-all-trans-pentaprenyloxy)phenazine

> <IUPAC_NAME>
2-[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yloxy]phenazine

> <FORMULA>
C37H50N2O

> <MASS>
538.80578

> <MONOISOTOPIC_MASS>
538.39231

> <CHARGE>
0

> <SMILES>
CC(CCOc1ccc2nc3ccccc3nc2c1)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C

> <INCHI>
InChI=1S/C37H50N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+

> <INCHIKEY>
VRHMBACMYZITGD-QAAQOENVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8741237

> <KEGG_COMPOUND_ACCESSION>
C11903

$$$$