Ontology mapping
- Primary identifier
-
CHEBI:9163
Chemical properties
- Cas rn
- 115-53-7
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C19H23NO4
- Inchi
- InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
- Smiles
- [H][C@]12C=C(OC)C(=O)C[C@]13CCN(C)[C@H]2Cc1ccc(OC)c(O)c13
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:04:17.380972+00:00 | audit_integrate_culturebotht | CREATED_FROM_CULTUREBOTHT | MAPPED | Created from CultureBotHT compounds_to_cas.csv (CAS=115-53-7); Imported from CultureBotHT. |
| 2026-05-01T07:35:36.175857+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.264991+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C19H23NO4; inchi=InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9; smiles=[H][C@]12C=C(OC)C(=O)C[C@]13CCN(C)[C@H]2Cc1ccc(OC) | |
| 2026-05-02T03:12:18.257198+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |