Ontology mapping
- Primary identifier
-
cas:16589-24-5
Chemical properties
- Cas rn
- 16589-24-5
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C22H32N2O10
- Smiles
- CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.C(C(C(=O)O)O)(C(=O)O)O
- Inchi
- InChI=1S/2C9H13NO2.C4H6O6/c2*1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2*2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
- Pubchem cid
- 101532
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 16589-24-5 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). 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:16589-24-5 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:36.528925+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:55:39.453030+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C22H32N2O10; smiles=CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.C(C(C(; inchi=InChI=1S/2C9H13NO2.C4H6O6/c2*1-10-6-9(12)7-2-4-8(1 | |
| 2026-05-02T03:12:18.731021+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |