Chrysanthemic Acid, Ethyl Ester

cas:97-41-6 chemically defined MAPPED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
cas:97-41-6
Ontology term
CHEBI:228794 — Ethyl chrysanthemumate
Ontology label
Ethyl chrysanthemumate

Synonyms (1)

SynonymTypeSourceOccurrences
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
97-41-6
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C12H20O2
Smiles
CCOC(=O)C1C(C1(C)C)C=C(C)C
Inchi
InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
Pubchem cid
7334

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 97-41-6 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 7334'

DATABASE_MATCH via MIM curation (#326)

mapping_quality NARROW_MATCH -> SYNONYM_MATCH. The recorded molecular_formula is identical to CHEBI:228794'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 (VIMXTGUGWLAOFZ-UHFFFAOYSA-N): 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:97-41-6 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:32.785952+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:52:21.639429+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C12H20O2; smiles=CCOC(=O)C1C(C1(C)C)C=C(C)C; inchi=InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10
2026-05-02T03:12:13.367079+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:43:35.483119+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:228794 (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.