Ontology mapping
- Primary identifier
-
CHEBI:144218 - Ontology label
- Roccellic acid
Chemical properties
- Cas rn
- 22139-54-4
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C17H32O4
- Inchi
- InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)/t14-,15+/m0/s1
- Smiles
- CCCCCCCCCCCC[C@@H](C(=O)O)[C@H](C)C(=O)O
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=22139-54-4); Imported from CultureBotHT. |
| 2026-05-01T07:35:36.088963+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.177586+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C17H32O4; inchi=InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(; smiles=CCCCCCCCCCCC[C@@H](C(=O)O)[C@H](C)C(=O)O | |
| 2026-05-02T03:12:18.138399+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |