Marvin  09241213122D          

 27 31  0  0  1  0            999 V2000
   13.4740   -6.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8761   -5.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4468   -4.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6228   -4.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6485   -6.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2220   -5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4192   -5.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3496   -6.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1093   -6.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7011   -5.6221    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.7399   -5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7318   -4.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0175   -4.1474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3068   -4.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3056   -5.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0217   -5.7965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5922   -4.1467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933   -5.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9331   -6.9627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6846   -6.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3771   -6.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849   -5.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3687   -4.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5447   -4.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1389   -5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5575   -6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139   -5.6635    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  6  7  1  0  0  0  0
 14 17  2  0  0  0  0
 18 22  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 21 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 15 18  1  0  0  0  0
  4  6  1  0  0  0  0
  2 10  1  0  0  0  0
 21 22  2  0  0  0  0
  5  6  2  0  0  0  0
 22 23  1  0  0  0  0
 11  7  1  0  0  0  0
 23 24  2  0  0  0  0
  1  2  2  0  0  0  0
 24 25  1  0  0  0  0
 12 13  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
  5  1  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <ID>
CHEBI:66000

> <NAME>
hamacanthin A

> <DEFINITION>
A member of the class of pyrazinones that is 5,6-dihydropyrazin-2(1H)-one substituted  at positions 3 and 6 by 6-bromo-1H-indol-3-yl groups. It is an antifungal drug isolated from deep water marine sponge Hamacantha sp.

> <STAR>
3

> <IUPAC_NAME>
3,6-bis(6-bromo-1H-indol-3-yl)-5,6-dihydropyrazin-2(1H)-one

> <FORMULA>
C20H14Br2N4O

> <MASS>
486.15900

> <MONOISOTOPIC_MASS>
483.95344

> <CHARGE>
0

> <SMILES>
Brc1ccc2c(c[nH]c2c1)C1CNC(=O)C(=N1)c1c[nH]c2cc(Br)ccc12

> <INCHI>
InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,27)

> <INCHIKEY>
MYXLDFYXMNSXDR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
160098-92-0

> <CHEMIDPLUS>
160098-92-0

> <PUBMED_CITATION>
17253840; 7807127

$$$$