Ontology mapping
- Primary identifier
-
CHEBI:156288 - Ontology label
- DL-kavain
Chemical properties
- Cas rn
- 3155-48-4
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C14H14O3
- Inchi
- InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1
- Smiles
- [H][C@]1(/C=C/c2ccccc2)CC(OC)=CC(=O)O1
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT.
DATABASE_MATCH
via MIM curation (#320)
identifier/ontology_id CHEBI:6117 ('Kawain') -> CHEBI:156288 ('DL-kavain'). The record's own cas_rn 3155-48-4 is registered by ChEBI against CHEBI:156288, which is the racemate of the term the record previously carried. Curation decision on #320: where the CAS names a more specific FORM than the label, the CAS governs — the recipe is taken to mean the substance actually weighed out. These surfaced as 'unrelated' in the ancestry triage only because ChEBI does not model salt-of / hydrate-of / racemate-of as subsumption, the same gap #342 recorded for hydrates.
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=3155-48-4); Imported from CultureBotHT. |
| 2026-05-01T07:35:34.179619+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:30.177532+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C14H14O3; inchi=InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7; smiles=[H][C@]1(/C=C/c2ccccc2)CC(OC)=CC(=O)O1 | |
| 2026-05-02T03:12:15.270678+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-08-13T00:00:00+00:00 | reground_cas_specific_form | REGROUNDED_TO_CAS_SPECIFIC_FORM | identifier/ontology_id CHEBI:6117 -> CHEBI:156288 'DL-kavain' (#320); the record's CAS 3155-48-4 denotes the racemate. mapping_quality -> SYNONYM_MATCH. |