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theobromine

PropertiesImageOccurences in reactions
MNX_IDMNXM905Image of MNXM905
#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 1
formulaC7H8N4O2
charge0
mass180.06473
referencechebi:28946
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
InChIInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
SMILESCn1cnc2c1c(=O)[nH]c(=O)n2C
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Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:28946
chebi:28946
theobromine
3,7-Dimethylxanthine
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
3,7-dimethylpurine-2,6-dione
3,7-dimethylxanthine
THEOBROMINE
Theobromin
Theobromine
envipath:...4c5240b3b5c4
envipathM:...4c5240b3b5c4
Theobromine
hmdb:HMDB0002825 Theobromine
2,6-Dihydroxy-3,7-dimethyl-purine
3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione
3,7-Dimethyl-xanthine
3,7-Dimethylpurine-2,6-dione
3,7-Dimethylxanthine
3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Diurobromine
Teobromin
Theobromin
theobromine
sabiork.compound:9585
sabiorkM:9585
kegg.compound:C07480
keggC:C07480
Theobromine
3,7-Dimethylxanthine
seed.compound:cpd04653
seedM:cpd04653
Theobromine
3,7-Dimethylxanthine
3,7-dimethylxanthine
theobromine
metacyc.compound:3-7-DIMETHYLXANTHINE
metacycM:3-7-DIMETHYLXANTHINE
theobromine
3,7-dimethylxanthine
hmdb:HMDB02825
chebi:26939
chebi:39914
chebi:9521
keggC:M_C07480
seedM:M_cpd04653
secondary/obsolete/fantasy identifier