Ontology mapping
- Primary identifier
-
CHEBI:28946 - Ontology label
- theobromine
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 83-67-0
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C7H8N4O2
- Inchi
- 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
- Cn1cnc2c1c(=O)nc(=O)n2C
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:04:17.380972+00:00 | audit_integrate_culturebotht | CREATED_FROM_CULTUREBOTHT | MAPPED | Created from CultureBotHT compounds_to_cas.csv (CAS=83-67-0); Imported from CultureBotHT. |
| 2026-05-01T07:35:36.586881+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.658741+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C7H8N4O2; inchi=InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(; smiles=Cn1cnc2c1c(=O)nc(=O)n2C | |
| 2026-05-02T03:12:18.811004+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |