input word = C00007326

Metabolite InformationStructural formula
Name 7-Methylxanthine
Formula C6H6N4O2
Mw 166.04907547
CAS RN 552-62-5
C_ID C00007326 ,
InChIKey PFWLFWPASULGAN-UHFFFAOYSA-N
InChICode InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
SMILES Cn1cnc2[nH]c(=O)[nH]c(=O)c21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeAquifoliaceaeIlex paraguariensis Ref.
PlantaeMalvaceaeCola sp. Ref.
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaeMalvaceaeTheobroma grandiflorum Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeCoffea canephora Ref.
PlantaeRubiaceaeCoffea dewevrei Ref.
PlantaeRubiaceaeCoffea eugeniodes Ref.
PlantaeRubiaceaeCoffea kianjavatensis Ref.
PlantaeRubiaceaeCoffea liberica Ref.
PlantaeRubiaceaeCoffea racemosa Ref.
PlantaeRubiaceaeCoffea salvatrix Ref.
PlantaeRutaceaeCitrus maxima Ref.
PlantaeSapindaceaePaullinia cupana Ref.
PlantaeTheaceaeCamellia assamica Ref.
PlantaeTheaceaeCamellia irrawadiensisia Ref.
PlantaeTheaceaeCamellia kissi Ref.
PlantaeTheaceaeCamellia ptilophylla Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeCamellia taliensis Ref.
PlantaeTheaceaeCamellia toliensis Ref.
--Caffea sp. Ref.
--Cammellia assamica var.kucha Ref.
--Herreania sp. Ref.
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