Ontology mapping
- Primary identifier
-
kgmicrobe.compound:methyl-cis-p-coumarate - Ontology term
-
CHEBI:86904— 4-coumaric acid methyl ester - Ontology label
- 4-coumaric acid methyl ester
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| methyl 3-(4-hydroxyphenyl)prop-2-enoate | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Data source
- ChEBI:86904 formula only
- Retrieval date
- 2026-09-12T00:00:00+00:00
- Molecular formula
- C10H10O3
Evidence (2)
DATABASE_MATCH
via CultureBotHT
SUPERSEDED (#456): the CAS-selected ChEBI term denotes a different stereochemical form. 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 cis/Z ester, while CHEBI:86904 is stereo-unspecified and CAS 3943-97-3 denotes the trans/E ester. No exact local ChEBI term or CAS number was verified for the cis form. Per MAPPING_SEMANTICS.md Section 3, the record now uses kgmicrobe.compound:methyl-cis-p-coumarate as the exact registry identity plus a narrowMatch to CHEBI:86904.
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=3943-97-3; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:34.701431+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:30.736987+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C10H10O3; inchi=InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8; smiles=[H]C(=Cc1ccc(O)cc1)C(=O)OC | |
| 2026-05-02T03:12:16.353279+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:86904 -> kgmicrobe.compound:methyl-cis-p-coumarate; ontology mapping set to NARROW_MATCH CHEBI:86904 ('4-coumaric acid methyl ester'). Replaced target-derived chemistry and marked 1 inherited ChEBI synonym(s) as REJECTED_LABEL (#456). |