Spectrum HMDB0001991_ms_ms_1932 for 7-Methylxanthine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
PFWLFWPASULGAN-UHFFFAOYSA-N
C6H6N4O2
166.049075432
OC=1N=C(O)C2=C(N=CN2C)N1