Marvin  05241015572D          

 23 24  0  0  1  0            999 V2000
   14.7140   -4.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7140   -3.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2850   -4.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2850   -3.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706   -4.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706   -2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1429   -4.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4284   -4.5411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4284   -2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4284   -2.0662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8574   -4.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1429   -3.3038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9994   -4.5411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9994   -5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7140   -5.7787    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7140   -6.6037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4284   -5.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4284   -7.0162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9994   -7.0162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4284   -7.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1429   -6.6037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1429   -8.2537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9994   -2.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 13  3  1  0  0  0  0
 13  1  1  0  0  0  0
  4 23  1  0  0  0  0
 23  2  2  0  0  0  0
  8  1  2  0  0  0  0
  2  1  1  0  0  0  0
  2  9  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 12  7  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
 18 21  1  6  0  0  0
 20 22  1  0  0  0  0
M  END
> <ID>
CHEBI:17601

> <NAME>
6,7-dimethyl-8-(1-D-ribityl)lumazine

> <DEFINITION>
The pteridine that is lumazine substituted with methyl groups at C-6 and -7 and with a 1-D-ribityl group on N-8.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12185; CHEBI:20682; CHEBI:2154

> <SYNONYM>
RL-6,7-diMe; DMDRL; 6,7-Dimethyl-8-ribityllumazine; 6,7-dimethyl-8-D-ribityllumazine; 6,7-dimethyl-8-(D-ribityl)lumazine; 6,7-dimethyl-8-(1-D-ribityl)lumazine; 6,7-Dimethyl-8-(1-D-ribityl)lumazine; 6,7-Dimethyl-8-(1'-D-ribityl)lumazine

> <IUPAC_NAME>
1-deoxy-1-[6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-ribitol

> <FORMULA>
C13H18N4O6

> <MASS>
326.30520

> <MONOISOTOPIC_MASS>
326.12263

> <CHARGE>
0

> <SMILES>
Cc1nc2c(nc(=O)[nH]c2=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C

> <INCHI>
InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1

> <INCHIKEY>
SXDXRJZUAJBNFL-XKSSXDPKSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
47879

> <CAS_REGISTRY_NUMBER>
5118-16-1

> <CHEMIDPLUS>
5118-16-1

> <KEGG_COMPOUND_ACCESSION>
C04332

> <PDBECHEM_ACCESSION>
DLZ

> <PUBMED_CITATION>
23051753

$$$$