methyl ferulate

cas:22329-76-6 chemically defined MAPPED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
cas:22329-76-6
Ontology term
CHEBI:67379 — trans-methylferulate
Ontology label
trans-methylferulate

Synonyms (1)

SynonymTypeSourceOccurrences
methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
22329-76-6
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C11H12O4
Smiles
COC1=C(C=CC(=C1)C=CC(=O)OC)O
Inchi
InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
Pubchem cid
5357283

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 22329-76-6 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 5357283'

DATABASE_MATCH via MIM curation (#326)

mapping_quality NARROW_MATCH -> SYNONYM_MATCH. The recorded molecular_formula is identical to CHEBI:67379's, and a 'parent' with an identical formula is not a parent — BACKFILL_PARENT_CHEBI found the term via a PubChem xref and filed it as one. Identity confirmed by InChIKey: the record's own cas_rn, written from CultureBotHT compounds_to_cas.csv at creation and so independent of this mapping, resolves in PubChem to the same key ChEBI records for the term. ontology_id is unchanged.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:22329-76-6 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:34.713676+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:54:08.087675+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C11H12O4; smiles=COC1=C(C=CC(=C1)C=CC(=O)OC)O; inchi=InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(
2026-05-02T03:12:16.373038+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:53:00.486502+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:67379 (pubchem-xref)
2026-08-13T00:00:00+00:00 regrade_identical_formula_parents REGRADED_PARENT_TO_IDENTITY mapping_quality NARROW_MATCH -> SYNONYM_MATCH (#326); the narrowMatch parent is the same substance, confirmed by InChIKey via the record's own CAS.