Ontology mapping
- Primary identifier
-
cas:40580-83-4
Chemical properties
- Cas rn
- 40580-83-4
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C12H11ClN2O
- Smiles
- CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.Cl
- Inchi
- InChI=1S/C12H10N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-6,13-14H,1H3;1H
- Pubchem cid
- 94507
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 40580-83-4 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:40580-83-4 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:33.944909+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:53:29.900237+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C12H11ClN2O; smiles=CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.Cl; inchi=InChI=1S/C12H10N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8 | |
| 2026-05-02T03:12:14.929522+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |