Bergenin

cas:108032-11-7 chemically defined MAPPED CHEBI NARROW_MATCH

Ontology mapping

Primary identifier
cas:108032-11-7
Ontology term
CHEBI:69499 — Bergenin

Synonyms (1)

SynonymTypeSourceOccurrences
Bergenin monohydrate EXACT_SYNONYM PubChem CID 201412

Chemical properties

Cas rn
108032-11-7
Data source
CultureBotHT compounds_to_cas.csv (CAS); PubChem CID 201412 (monohydrate formula)
Retrieval date
2026-04-29T06:04:17.380972+00:00
Molecular formula
C14H18O10
Pubchem cid
201412

Evidence (2)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT.

MANUAL_CURATION via MIM curation (#312); chebi.db

identifier CHEBI:69499 -> cas:108032-11-7; ontology CHEBI:69499 ('Bergenin') -> CHEBI:69499 ('Bergenin'); mapping_quality EXACT_MATCH -> NARROW_MATCH. The record's only source-supplied identity is CAS 108032-11-7, which PubChem resolves to CID 201412, C14H18O10: bergenin monohydrate (C14H16O9.H2O, MW 346.29). CHEBI:69499 'Bergenin' is the anhydrous compound (C14H16O9, cas 477-90-7), whose InChI/SMILES had been copied onto the record. ChEBI has no hydrate term, so Section 3 step 2 applies: identifier cas:108032-11-7, broadMatch to CHEBI:69499 as the nearest parent, Rule B1 registry row. The CAS governs the form (#320). Formula corrected to the monohydrate; the anhydrous InChI/SMILES are dropped.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:04:17.380972+00:00 audit_integrate_culturebotht CREATED_FROM_CULTUREBOTHT MAPPED Created from CultureBotHT compounds_to_cas.csv (CAS=108032-11-7); Imported from CultureBotHT.
2026-05-01T07:35:32.378726+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.188343+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C14H16O9; inchi=InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-1; smiles=[H][C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC
2026-05-02T03:12:12.774321+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-09-23T00:44:54.478367+00:00 claude LLM REGROUNDED_IDENTITY MAPPED identifier CHEBI:69499 -> cas:108032-11-7; ontology CHEBI:69499 ('Bergenin') -> CHEBI:69499 ('Bergenin'); mapping_quality EXACT_MATCH -> NARROW_MATCH. The record's only source-supplied identity is CAS 108032-11-7, which PubChem resolves to CID 201412, C14H18O10: bergenin monohydrate (C14H16O9.H2O, MW 346.29). CHEBI:69499 'Bergenin' is the anhydrous compound (C14H16O9, cas 477-90-7), whose InChI/SMILES had been copied onto the record. ChEBI has no hydrate term, so Section 3 step 2 applies: identifier cas:108032-11-7, broadMatch to CHEBI:69499 as the nearest parent, Rule B1 registry row. The CAS governs the form (#320). Formula corrected to the monohydrate; the anhydrous InChI/SMILES are dropped. (#312) Synonyms added: Bergenin monohydrate.