Marvin  11300615162D          

 18 20  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14  3  1  0  0  0  0
 14  1  2  0  0  0  0
  4 10  1  0  0  0  0
 10  2  2  0  0  0  0
 16  1  1  0  0  0  0
  2  1  1  0  0  0  0
  2 11  1  0  0  0  0
 16  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15  9  1  0  0  0  0
  5  3  2  0  0  0  0
  3  4  1  0  0  0  0
  6  4  2  0  0  0  0
  5  8  1  0  0  0  0
  8  7  2  0  0  0  0
  7  6  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  2  0  0  0  0
  8 18  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
> <ID>
CHEBI:17781

> <NAME>
lumichrome

> <DEFINITION>
A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43772; CHEBI:6561; CHEBI:14534; CHEBI:25080

> <SYNONYM>
lumichrome; LUMICHROME; Lumichrome; 7,8-Dimethylalloxazine

> <IUPAC_NAME>
7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione

> <FORMULA>
C12H10N4O2

> <MASS>
242.23356

> <MONOISOTOPIC_MASS>
242.08038

> <CHARGE>
0

> <SMILES>
Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C

> <INCHI>
InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)

> <INCHIKEY>
ZJTJUVIJVLLGSP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
226631

> <CAS_REGISTRY_NUMBER>
1086-80-2

> <REAXYS_REGISTRY_NUMBER>
226631

> <CHEMIDPLUS>
1086-80-2

> <DRUGBANK_ACCESSION>
DB04345

> <KEGG_COMPOUND_ACCESSION>
C01727

> <KNAPSACK_ACCESSION>
C00030694

> <METACYC_ACCESSION>
CPD-605

> <NIST_CHEMISTRY_WEBBOOK>
1086-80-2

> <PDBECHEM_ACCESSION>
LUM

> <PUBMED_CITATION>
15819908; 21126007; 22953948; 24001807; 24451190; 24643482

$$$$