| Name |
Theophylline |
| Formula |
C7H8N4O2 |
| Mw |
180.06472553 |
| CAS RN |
58-55-9 |
| C_ID |
C00001510
, 
|
| InChIKey |
ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
| SMILES |
n1(c(=O)n(c2c(c1=O)[nH]cn2)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
Anthranilate L-Arg L-Asp L-Phe |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex paraguariensi | Ref. |
| Plantae | Aquifoliaceae | Ilex paraguariensis  | Ref. |
| Plantae | Malvaceae | Cola sp. | Ref. |
| Plantae | Malvaceae | Theobroma cacao L. | 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 limon | Ref. |
| Plantae | Rutaceae | Citrus maxima | Ref. |
| Plantae | Rutaceae | Citrus paradisi | Ref. |
| Plantae | Sapindaceae | Paullinia cupana | Ref. |
| Plantae | Sapindaceae | Paullinia trifoliata | 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 thea | Ref. |
| Plantae | Theaceae | Camellia toliensis | Ref. |
| - | - | Cammellia assamica var.kucha | Ref. |
| - | - | Herreania sp. | Ref. |
|
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