Esculin Monohydrate

CHEBI:73111 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier
CHEBI:73111
Ontology label
esculin hydrate

Synonyms (1)

SynonymTypeSourceOccurrences
7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside--water (1/1) EXACT_SYNONYM chebi_synonym_review

Rejected enrichment labels (1)

Provenance-only candidates: these are not synonyms and do not resolve to this record.

Rejected labelDispositionSourceOccurrences
hydrolysis: esculin REJECTED_LABEL sssom_other_backfill

Chemical properties

Data source
OAK/CHEBI exact hydrate term CHEBI:73111
Retrieval date
2026-09-10T00:00:00+00:00
Molecular formula
C15H16O9.H2O
Inchi
InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1
Smiles
O.O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).

DATABASE_MATCH via MIM curation (#321)

molecular_formula 'C15H16O9' -> 'C15H16O9.H2O'. The recorded value described the anhydrous salt while the label names a hydrate, understating the mass by 18 g/mol per water. Corrected because the label states 1 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:4853's ChEBI formula ('C15H16O9') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.

DATABASE_MATCH via MIM curation (#321)

Promoted from CHEBI:4853 ('esculin') to the exact ChEBI hydrate term CHEBI:73111 ('esculin hydrate'). The label names a hydrate and ChEBI has a term for that hydrate, so MAPPING_SEMANTICS.md Section 3 step 1 applies.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:34:31.158938+00:00 audit_cas_chebi_followup CREATED_FROM_CAS_LOOKUP MAPPED Created from CultureBotHT CAS-RN=531-75-9; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
2026-05-01T07:35:33.437512+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:29.413067+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C15H16O9; inchi=InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24; smiles=O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H
2026-05-02T03:12:14.248014+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-08-13T00:00:00+00:00 add_water_of_hydration ADDED_WATER_OF_HYDRATION molecular_formula 'C15H16O9' -> 'C15H16O9.H2O' (#321); the label states 1 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:4853's ChEBI formula ('C15H16O9') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.
2026-09-02T22:41:49.137449+00:00 claude_sssom_surface_form_backfill ADDED_SYNONYMS Recovered 1 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: 'hydrolysis: esculin'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520).
2026-09-10T00:00:00+00:00 fix_remaining_hydrate_regroundings PROMOTED_TO_SPECIFIC_HYDRATE identifier CHEBI:4853 -> CHEBI:73111; ontology_id CHEBI:4853 -> CHEBI:73111; mapping_quality -> EXACT_MATCH. Structure fields were copied from the exact ChEBI hydrate term, 1 stale anhydrous exact synonym(s) were replaced, and stale kg_microbe_node_id values were aligned where present (#321).
2026-09-22T06:14:49.563933+00:00 claude LLM REJECTED_TRAIT_SYNONYMS Retyped activity/assay phrases as provenance-only REJECTED_LABEL because they describe a process or organism trait, not an ingredient name (#703): 'hydrolysis: esculin'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated.