Ontology mapping
- Primary identifier
-
CHEBI:28177 - Ontology label
- theophylline
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 58-55-9
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C7H8N4O2
- Inchi
- InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
- Smiles
- Cn1c(=O)c2ncnc2n(C)c1=O
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. FEBA/Hans80 panels: Hans80Anti.
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=58-55-9); Imported from CultureBotHT. FEBA/Hans80 panels: Hans80Anti. |
| 2026-05-01T07:35:36.588771+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.661263+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C7H8N4O2; inchi=InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10; smiles=Cn1c(=O)c2ncnc2n(C)c1=O | |
| 2026-05-02T03:12:18.814044+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |