Ontology mapping
- Primary identifier
-
cas:17666-25-0
Chemical properties
- Cas rn
- 17666-25-0
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C32H50ClNO9
- Smiles
- CC=C(C)C(=O)OC1CCC2(C3C1(OC24CC5(C6CN7CC(CCC7C(C6(C(CC5(C4CC3)O)O)O)(C)O)C)O)O)C.Cl
- Inchi
- InChI=1S/C32H49NO9.ClH/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36;/h6,17,19-24,34,36-40H,7-16H2,1-5H3;1H/b18-6-;/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-;/m0./s1
- Pubchem cid
- 16220094
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 17666-25-0 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:17666-25-0 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:36.852933+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:55:57.020431+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C32H50ClNO9; smiles=CC=C(C)C(=O)OC1CCC2(C3C1(OC24CC5(C6CN7CC(CCC7C(C6(; inchi=InChI=1S/C32H49NO9.ClH/c1-6-18(3)25(35)41-24-11-12 | |
| 2026-05-02T03:12:19.183567+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |