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7-methylxanthine

PropertiesImageOccurences in reactions
MNX_IDMNXM628Image of MNXM628
#reac
in my sandbox 0
in MNXref (generic)28
in models (compartimentalized) 1
formulaC6H6N4O2
charge0
mass166.14
referencechebi:48991
InChIKeyPFWLFWPASULGAN-UHFFFAOYSA-N
InChIInChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
SMILES[CH3:1][n:10]1[cH:2][n:7][c:4]2[c:3]1[c:5]([OH:11])[n:9][c:6]([OH:12])[n:8]2
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:48991
chebi:48991 		7-methylxanthine
3,7-dihydro-7-methyl-1H-purine-2,6-dione
7-Methylxanthin
7-methyl-3,7-dihydro-1H-purine-2,6-dione
Heteroxanthin
Heteroxanthine
envipath:...4b47da9d2641
envipathM:...4b47da9d2641
sabiork.compound:30048
sabiorkM:30048
kegg.compound:C16353
keggC:C16353 		7-Methylxanthine
hmdb:HMDB0001991 7-Methylxanthine
2,6-Dihydroxy-7-methylpurine
3,7-Dihydro-7-methyl-1H-purine-2,6-dione
7-Methyl-3,7-dihydro-1H-purine-2,6-dione
7-Methyl-7H-purine-2,6-diol
7-Methylxanthin
7-Methylxanthine, 7-(13)C-labeled
7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7-methylxanthine
Heteroxanthin
Heteroxanthine
Methylxanthine
seed.compound:cpd15069
seedM:cpd15069 		7-Methylxanthine
3,7-dihydro-7-methyl-1H-purine-2,6-dione
7-methylxanthine
heteroxanthine
vmhM:7mxthn
vmhmetabolite:7mxthn 		7-Methylxanthine
7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
metacyc.compound:7-METHYLXANTHINE
metacycM:7-METHYLXANTHINE 		7-methylxanthine
3,7-dihydro-7-methyl-1H-purine-2,6-dione
heteroxanthine
envipath:...a4cc0883b37a
envipathM:...a4cc0883b37a 		compound 0062104
hmdb:HMDB01991
keggC:M_C16353
seedM:M_cpd15069 		secondary/obsolete/fantasy identifier