Ontology mapping
- Primary identifier
-
cas:20846-91-7
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| EDDS | EXACT_SYNONYM | culturebotht |
Chemical properties
- Cas rn
- 20846-91-7
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C10H16N2O8
- Smiles
- C(CNC(CC(=O)O)C(=O)O)NC(CC(=O)O)C(=O)O
- Inchi
- InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1
- Pubchem cid
- 497266
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 20846-91-7 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
- 0
- Distinct media
- 0
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:20846-91-7 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:33.477416+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:52:59.772874+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C10H16N2O8; smiles=C(CNC(CC(=O)O)C(=O)O)NC(CC(=O)O)C(=O)O; inchi=InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12 | |
| 2026-05-02T03:12:14.301489+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |