| Name |
Theobromine |
| Formula |
C7H8N4O2 |
| Mw |
180.06472553 |
| CAS RN |
83-67-0 |
| C_ID |
C00001509
, 
|
| InChIKey |
YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
| SMILES |
[nH]1c(=O)n(c2c(c1=O)n(cn2)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr L-Phe |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Aquifoliaceae | Ilex paraguariensis A.St.-Hil.  | Ref. |
| Plantae | Aquifoliaceae | Ilex perado | Ref. |
| Plantae | Fabaceae | Pseudopiptadenia leptostachya | Ref. |
| Plantae | Loranthaceae | Scurrula atropurpurea | Ref. |
| Plantae | Malvaceae | Cola acuminata | Ref. |
| Plantae | Malvaceae | Cola sp. | Ref. |
| Plantae | Malvaceae | Theobroma cacao | Ref. |
| Plantae | Malvaceae | Theobroma grandiflorum | 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 pachycarpa | Ref. |
| Plantae | Sapindaceae | Paullinia trifoliata | Ref. |
| Plantae | Sapindaceae | Paullinia yoco | Ref. |
| Plantae | Theaceae | Camellia irawadiensis | Ref. |
| Plantae | Theaceae | Camellia irrawadiensis | Ref. |
| Plantae | Theaceae | Camellia ptilophylla | Ref. |
| Plantae | Theaceae | Camellia sinensis | Ref. |
| Plantae | Theaceae | Camellia taliensis | Ref. |
| Plantae | Theaceae | Camellia thea | Ref. |
| - | - | Herreania sp. | Ref. |
| - | - | Scurrura atropurpurea | Ref. |
| - | - | Theobroma | Ref. |
|
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