Ontology mapping
- Primary identifier
-
CHEBI:80946
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| octan-3-one | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 106-68-3
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C8H16O
- Inchi
- InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
- Smiles
- CCCCCC(=O)CC
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=106-68-3); Imported from CultureBotHT. |
| 2026-05-01T07:35:31.859228+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:27.676134+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C8H16O; inchi=InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3; smiles=CCCCCC(=O)CC | |
| 2026-05-02T03:12:12.027293+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |