Ontology mapping
- Primary identifier
-
cas:69004-03-1 - Ontology term
-
CHEBI:9629— tomatidine - Ontology label
- tomatidine
Chemical properties
- Cas rn
- 69004-03-1
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
Evidence (3)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 69004-03-1 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.
DATABASE_MATCH
via CHEBI via PubChem (pubchem-xref)
Parent class identified via pubchem-xref; matched_via='pubchem CID 68591'
MANUAL_CURATION
via MIM curation (#263)
Re-pointed the narrowMatch parent from CHEBI:93130 (a triazinane-trione pesticide) to CHEBI:9629 'tomatidine', the actual free base of this hydrochloride salt (#263). The cas:69004-03-1 identifier was already correct and is unchanged.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:51:33.117170+00:00 | audit_add_remaining_culturebotht | CREATED_FROM_CAS_FALLBACK | MAPPED | Created with cas:69004-03-1 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:36.665590+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:55:48.908491+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C18H14F3N3O4S; smiles=CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3; inchi=InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(2 | |
| 2026-05-02T03:12:18.916354+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T05:03:58.721660+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:93130 (pubchem-xref) | |
| 2026-08-06T00:00:00+00:00 | reground_263 LLM | CORRECTED | MAPPED | identifier cas:69004-03-1 -> cas:69004-03-1; ontology term CHEBI:93130 -> CHEBI:9629 (tomatidine). Re-pointed the narrowMatch parent from CHEBI:93130 (a triazinane-trione pesticide) to CHEBI:9629 'tomatidine', the actual free base of this hydrochloride salt (#263). The cas:69004-03-1 identifier was already correct and is unchanged. Dropped molecular_formula, inchi, smiles, pubchem_cid backfilled from the wrong term. |