Ontology mapping
- Primary identifier
-
CHEBI:109544 - Ontology label
- (4R)-4-(1-methylethenyl)-1-cyclohexenecarboxylic acid
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Data source
- PubChem CID 5702197
- Retrieval date
- 2026-09-12T00:00:00+00:00
- Molecular formula
- C10H14O2
- Pubchem cid
- 5702197
- Inchi
- InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/t8-/m0/s1
- Smiles
- C=C(C)[C@H]1CC=C(C(=O)O)CC1
Evidence (2)
DATABASE_MATCH
via CultureBotHT
SUPERSEDED (#456): the CAS-selected ChEBI term denotes a broader stereochemical parent. Original note follows. Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
CURATOR_JUDGMENT
via MIM curation (#456)
The CultureBotHT label names the (-) enantiomer. PubChem CID 5702197 has the same stereochemical InChIKey as CHEBI:109544, while the old CHEBI:36999 target is stereo-unspecified. The record now maps exactly to CHEBI:109544 instead of the old CHEBI:36999 stereo-unspecified parent.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:34:31.158938+00:00 | audit_cas_chebi_followup | CREATED_FROM_CAS_LOOKUP | MAPPED | Created from CultureBotHT CAS-RN=7694-45-3; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:35.737784+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:31.847803+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C10H14O2; inchi=InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5; smiles=C=C(C)C1CC=C(C(=O)O)CC1 | |
| 2026-05-02T03:12:17.688622+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-09-12T00:00:00+00:00 | fix_cas_stereochemical_identity_conflicts | REGROUNDED_STEREOCHEMICAL_FORM | MAPPED | identifier CHEBI:36999 -> CHEBI:109544; ontology mapping set to EXACT_MATCH CHEBI:109544 ('(4R)-4-(1-methylethenyl)-1-cyclohexenecarboxylic acid'). Replaced target-derived chemistry and marked 1 inherited ChEBI synonym(s) as REJECTED_LABEL (#456). |