Ontology mapping
- Primary identifier
-
CHEBI:49240 - Ontology label
- alpha-bisabolene
Chemical properties
- Cas rn
- 17627-44-0
- Data source
- CultureBotHT compounds_to_cas.csv; structure from chebi.db CHEBI:49240 (#312)
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C15H24
- Inchi
- InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3
- Smiles
- CC(C)=CCC=C(C)C1CC=C(C)CC1
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT.
MANUAL_CURATION
via MIM curation (#312); chebi.db
identifier CHEBI:49235 -> CHEBI:49240; ontology CHEBI:49235 ('bisabolene') -> CHEBI:49240 ('alpha-bisabolene'); mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP. CHEBI:49235 'bisabolene' is a class (formula only, no InChIKey, no CAS; members alpha, beta, gamma). The record was created from CultureBotHT with CAS 17627-44-0, which ChEBI xrefs on exactly one term, CHEBI:49240 'alpha-bisabolene'. Section 3 step 4's evidence hatch: the CAS picks the member. Structure fields filled from the term.
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=17627-44-0); Imported from CultureBotHT. |
| 2026-05-01T07:35:32.437721+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:28.250581+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C15H24 | |
| 2026-05-02T03:12:12.860415+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-09-23T00:44:54.470212+00:00 | claude LLM | REGROUNDED_IDENTITY | MAPPED | identifier CHEBI:49235 -> CHEBI:49240; ontology CHEBI:49235 ('bisabolene') -> CHEBI:49240 ('alpha-bisabolene'); mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP. CHEBI:49235 'bisabolene' is a class (formula only, no InChIKey, no CAS; members alpha, beta, gamma). The record was created from CultureBotHT with CAS 17627-44-0, which ChEBI xrefs on exactly one term, CHEBI:49240 'alpha-bisabolene'. Section 3 step 4's evidence hatch: the CAS picks the member. Structure fields filled from the term. (#312) |