Ontology mapping
- Primary identifier
-
CHEBI:2769 - Ontology label
- apigenin 7,4'-dimethyl ether
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| Methoxymethane | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Cas rn
- 5128-44-9
- Molecular formula
- C17H14O5
- Smiles
- COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1
- Inchi
- InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3
- Pubchem cid
- 5281601
- Data source
- https://www.ebi.ac.uk/chebi/CHEBI:2769 ; https://pubchem.ncbi.nlm.nih.gov/compound/5281601
- Retrieval date
- 2026-09-21T21:33:25.379198+00:00
Evidence (1)
MANUAL_CURATION
via https://www.ebi.ac.uk/chebi/CHEBI:2769 ; https://pubchem.ncbi.nlm.nih.gov/compound/5281601
Resolve the stated Apigenin Dimethyl Ether name to the explicit ChEBI/KEGG synonym of apigenin 7,4-prime-dimethyl ether. Correct CAS 5128-44-9 differs from imported 5728-44-9, which produced unrelated benzoic-acid chemistry. Withdraw methoxymethane CHEBI:28887 and reject its synonym; replace the wrong molecular formula, structure and CID from ChEBI and PubChem.
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:5728-44-9 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:32.219979+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:51:54.587899+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C14H9NO2; smiles=C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)C(=O)O; inchi=InChI=1S/C14H9NO2/c15-9-12-3-1-2-4-13(12)10-5-7-11 | |
| 2026-05-02T03:12:12.531432+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:40:32.156808+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:28887 (stem-substring) | |
| 2026-09-21T21:33:25.379198+00:00 | mim_semantic_review_20260921 LLM | CORRECTED | MAPPED | Resolve the stated Apigenin Dimethyl Ether name to the explicit ChEBI/KEGG synonym of apigenin 7,4-prime-dimethyl ether. Correct CAS 5128-44-9 differs from imported 5728-44-9, which produced unrelated benzoic-acid chemistry. Withdraw methoxymethane CHEBI:28887 and reject its synonym; replace the wrong molecular formula, structure and CID from ChEBI and PubChem. Evidence: https://www.ebi.ac.uk/chebi/CHEBI:2769 ; https://pubchem.ncbi.nlm.nih.gov/compound/5281601 |