Ontology mapping
- Primary identifier
-
CHEBI:66870 - Ontology label
- sodium dithionite
Physicochemical roles
- Role
- REDUCING_AGENT
- Confidence
- 0.6
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Assigned by in-session Claude reasoning (no external API)
- Curator note
- Provisional in-session LLM role assignment; review recommended.
Synonyms (7)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Properties: Defined component, Simple component, Inorganic compound | RAW_TEXT | CultureMech | |
| 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid | EXACT_SYNONYM | kg_microbe | |
| Scutellarein 7-O-beta-D-glucuronide | EXACT_SYNONYM | kg_microbe | |
| Scutellarein-7-O-beta-D-glucuronide | EXACT_SYNONYM | kg_microbe | |
| Scutellarein-7-glucuronide | EXACT_SYNONYM | kg_microbe | |
| Scutellarein-7beta-D-glucuronide | EXACT_SYNONYM | kg_microbe | |
| Scutellarein-7beta-D-glucuronoside | EXACT_SYNONYM | kg_microbe |
Chemical properties
- Cas rn
- 7775-14-6
- Data source
- PubChem API
- Retrieval date
- 2026-04-05T19:53:19.989382+00:00
- Molecular formula
- C21H18O12
- Inchi
- InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
- Smiles
- O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
Evidence (1)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-03-09T06:54:18.022301+00:00 | import_from_culturemech | IMPORTED | MAPPED | Initial import from CultureMech pipeline |
| 2026-04-05T19:53:19.989390+00:00 | fetch_cas_rn_from_pubchem | ADDED_CAS_RN | MAPPED | Added CAS-RN:7775-14-6 from PubChem API via name lookup (Na2S2O4) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 6 synonyms from kg-microbe P4.4 enrichment: 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Scutellarein 7-O-beta-D-glucuronide, Scutellarein-7-O-beta-D-glucuronide, Scutellarein-7-glucuronide, Scutellarein-7beta-D-glucuronide, ... (1 more) |
| 2026-05-01T07:35:35.245329+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:31.314515+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C21H18O12; inchi=InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-; smiles=O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3 | |
| 2026-05-02T03:12:17.059193+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-09T04:56:30.248082+00:00 | claude_in_session_curation | ANNOTATED | Added media role: REDUCING_AGENT (confidence: 0.60) | |
| 2026-06-09T05:23:46.807363+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'Na2S2O4' -> 'scutellarin': synced to canonical CHEBI label (preferred_term 'Na2S2O4' unchanged). | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): REDUCING_AGENT -> physicochemical_roles.REDUCING_AGENT | |
| 2026-08-06T01:37:25.864886+00:00 | reground_263 LLM | MERGED_INTO | REJECTED | Merged into CHEBI:66870 'Sodium dithionite'; occurrences transferred. Tombstoned REJECTED, SSSOM rows dropped. Na2S2O4 and Sodium dithionite are the same substance (CAS 7775-14-6); the Na2S2O4 record's CHEBI:61278 'scutellarin' grounding was wrong (#263) and masked the duplicate |
| 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 'scutellarin'; it matches the ChEBI synonym 'Scutellarein-7-glucuronide' on CHEBI:61278. 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_tombstone_pointers | REPOINTED_TOMBSTONE_IDENTIFIER | identifier CHEBI:61278 -> CHEBI:66870 (#360). This record was merged into 'Sodium dithionite' but kept its own old identifier, so a downstream lookup on this label resolved to nothing live. The target is the one named in this record's own MERGED_INTO entry; the chain was followed to the first live record. A tombstone exists to keep the loser resolvable. | |
| 2026-08-15T00:00:00+00:00 | fix_tombstone_pointers | REFRESHED_TOMBSTONE_ONTOLOGY_ID | ontology_id CHEBI:61278 -> CHEBI:66870 (#360). The merge set identifier and status but left ontology_mapping untouched, so this tombstone kept advertising a term it no longer asserts — anything indexing by ontology_id routed through it. Now agrees with the merge target 'Sodium dithionite'. Provenance is unaffected: what the record used to assert is in this history. |