Ontology mapping
- Primary identifier
-
CHEBI:27732 - Ontology label
- caffeine
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 58-08-2
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C8H10N4O2
- Inchi
- InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
- Smiles
- Cn1c(=O)c2c(ncn2C)n(C)c1=O
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. FEBA/Hans80 panels: Hans80Anti, Hans80metals.
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=58-08-2); Imported from CultureBotHT. FEBA/Hans80 panels: Hans80Anti, Hans80metals. |
| 2026-05-01T07:35:32.545411+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:28.368119+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C8H10N4O2; inchi=InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14; smiles=Cn1c(=O)c2c(ncn2C)n(C)c1=O | |
| 2026-05-02T03:12:13.014235+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |