MgSO47H2O

CHEBI:31795 chemically defined REJECTED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
CHEBI:31795
Ontology label
magnesium sulfate heptahydrate

Nutritional roles

Synonyms (10)

SynonymTypeSourceOccurrences
Role: Mineral source; Properties: Defined component, Simple component, Inorganic compound RAW_TEXT CultureMech
.MgSO4 EXACT_SYNONYM kg_microbe
MgSO EXACT_SYNONYM kg_microbe
MgSO 4 EXACT_SYNONYM kg_microbe
MgSO2 EXACT_SYNONYM kg_microbe
MgSO4 x 7 H20 ALTERNATE_FORM kg_microbe
bitter salt EXACT_SYNONYM kg_microbe
epsom salt EXACT_SYNONYM kg_microbe
epsomite EXACT_SYNONYM kg_microbe
magnesium sulfate--water (1/7) EXACT_SYNONYM kg_microbe

Chemical properties

Cas rn
10034-99-8
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-05T21:48:45.359004+00:00
Molecular formula
7H2O.Mg.O4S
Inchi
InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2
Smiles
O=S(=O)([O-])[O-].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Mg+2]

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T21:48:45.359007+00:00 fetch_cas_rn_from_culturebot_csv ADDED_CAS_RN MAPPED Added CAS-RN:10034-99-8 from CultureBotHT compounds_to_cas.csv (matched: MgSO47H2O)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 9 synonyms from kg-microbe P4.4 enrichment: .MgSO4, MgSO, MgSO 4, MgSO2, MgSO4 x 7 H20, ... (4 more)
2026-05-01T07:35:34.784809+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:30.827076+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=7H2O.Mg.O4S; inchi=InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,; smiles=O=S(=O)([O-])[O-].[H]O[H].[H]O[H].[H]O[H].[H]O[H].
2026-05-02T03:12:16.464620+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.111902+00:00 extract_roles_from_synonyms ANNOTATED Added media role: MINERAL (confidence: 1.00)
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): MINERAL -> nutritional_roles.SULFUR_SOURCE
2026-07-20T20:01:42.981644+00:00 migrate_media_roles_to_facets CORRECTED Added nutritional role(s) MINERAL_SOURCE missed by the initial #128 migration: the residual MINERAL_SOURCE bucket was suppressed whenever any other target existed, which dropped the bulk cation from salts whose other role describes the anion (e.g. MgSO4).
2026-08-10T00:00:00+00:00 regrade_synonym_matches REGRADED_EXACT_TO_SYNONYM mapping_quality EXACT_MATCH -> SYNONYM_MATCH (#317). The record's label does not equal the term's primary label 'magnesium sulfate heptahydrate'; it matches the ChEBI synonym 'magnesium sulfate--water (1/7)' on CHEBI:31795. The schema defines EXACT_MATCH as a direct match to the term and SYNONYM_MATCH as a match to a known synonym, so the recorded grade overstated. ontology_id is unchanged — the term is correct. The SSSOM predicate is unaffected (both grades emit skos:exactMatch).
2026-08-15T00:00:00+00:00 fix_hydrate_terms_and_twins MERGED_INTO Merged into CHEBI:31795 'MgSO4 x 7 H2O'; occurrences transferred. 'MgSO47H2O' and 'MgSO4 x 7 H2O' are the same substance written two ways — no separator at all; already on the correct term, so this is a duplicate identifier rather than a wrong one — so the pair escaped dedup, and the loser was then grounded to the nearest term lexical matching could reach: CHEBI:31795 ('magnesium sulfate heptahydrate'), which does not carry the water its own label states. The #334 shadowing pattern. Found by cross-checking CultureBotAI/CultureMech#272, which grounds these labels correctly. Tombstoned REJECTED, SSSOM rows dropped.