Ontology mapping
- Primary identifier
-
cas:853-68-9
Synonyms (2)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| anthraquinone-2,6-disulfonate | EXACT_SYNONYM | culturebotht | |
| Na2-9,10-anthraquinone-2,6-disulfonate | EXACT_SYNONYM | merge |
Chemical properties
- Cas rn
- 853-68-9
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C14H6Na2O8S2
- Smiles
- C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]
- Inchi
- InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
- Pubchem cid
- 70070
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 853-68-9 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: Hans80metals. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
Occurrence statistics
- Total occurrences
- 23
- Distinct media
- 23
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:51:33.117170+00:00 | audit_add_remaining_culturebotht | CREATED_FROM_CAS_FALLBACK | MAPPED | Created with cas:853-68-9 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:31.993601+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:51:40.503967+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C14H6Na2O8S2; smiles=C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C(C2=O)C=C(C=C3; inchi=InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19) | |
| 2026-05-02T03:12:12.221466+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-07-21T18:49:55.309338+00:00 | merge-ingredients | MERGED | Merged duplicate record CHEBI:85112 ('Na2-9,10-anthraquinone-2,6-disulfonate', origin UNMAPPED_0466, source mediadive.ingredient:521) into this record. Same substance: AQDS = anthraquinone-2,6-disulfonate disodium salt. Kept cas:853-68-9 as the more precise disodium-salt identity (full chemistry, PubChem CID 70070); CHEBI:85112 is the related dianion (a closeMatch/parent, not the exact salt), so it is recorded here as a note rather than a primary. Surface form kept as a synonym. | |
| 2026-08-27T03:16:39.518287+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 0/0 -> 23/23 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257] |