| Name |
3-Methylxanthine |
| Formula |
C6H6N4O2 |
| Mw |
166.04907547 |
| CAS RN |
1076-22-8 |
| C_ID |
C00043196
, 
|
| InChIKey |
GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) |
| SMILES |
c1(=O)[nH]c(=O)c2c(n1C)nc[nH]2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
Anthranilate L-Asp L-Phe |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Hominidae | Homo sapiens (Urine) | Ref. |
| Plantae | Aquifoliaceae | Ilex paraguariensis  | Ref. |
| Plantae | Malvaceae | Cola sp. | Ref. |
| Plantae | Malvaceae | Theobroma cacao | Ref. |
| Plantae | Malvaceae | Theobroma grandiflorum | Ref. |
| Plantae | Rubiaceae | Coffea arabica | Ref. |
| Plantae | Rubiaceae | Coffea canephora | Ref. |
| Plantae | Rubiaceae | Coffea dewevrei | Ref. |
| Plantae | Rubiaceae | Coffea eugeniodes | Ref. |
| Plantae | Rubiaceae | Coffea kianjavatensis | Ref. |
| Plantae | Rubiaceae | Coffea liberica | Ref. |
| Plantae | Rubiaceae | Coffea racemosa | Ref. |
| Plantae | Rubiaceae | Coffea salvatrix | Ref. |
| Plantae | Rutaceae | Citrus maxima | Ref. |
| Plantae | Sapindaceae | Paullinia cupana | Ref. |
| Plantae | Theaceae | Camellia assamica | Ref. |
| Plantae | Theaceae | Camellia irrawadiensisia | Ref. |
| Plantae | Theaceae | Camellia kissi | Ref. |
| Plantae | Theaceae | Camellia ptilophylla | Ref. |
| Plantae | Theaceae | Camellia sinensis | Ref. |
| Plantae | Theaceae | Camellia taliensis | Ref. |
| Plantae | Theaceae | Camellia toliensis | Ref. |
| - | - | Cammellia assamica var.kucha | Ref. |
| - | - | Herreania sp. | Ref. |
| - | - | Symplegma rubra | Ref. |
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