Ontology mapping
- Primary identifier
-
cas:6505-45-9 - Ontology term
-
CHEBI:230840— Indole-3-acetic acid sodium salt - Ontology label
- Indole-3-acetic acid sodium salt
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| sodium;2-(1H-indol-3-yl)acetate | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 6505-45-9
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C10H8NNaO2
- Smiles
- C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-].[Na+]
- Inchi
- InChI=1S/C10H9NO2.Na/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);/q;+1/p-1
- Pubchem cid
- 23677501
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 6505-45-9 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.
DATABASE_MATCH
via CHEBI via PubChem (pubchem-xref)
Parent class identified via pubchem-xref; matched_via='pubchem CID 23677501'
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:6505-45-9 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:34.057544+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:53:34.481223+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C10H8NNaO2; smiles=C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-].[Na+]; inchi=InChI=1S/C10H9NO2.Na/c12-10(13)5-7-6-11-9-4-2-1-3- | |
| 2026-05-02T03:12:15.103335+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:50:23.991204+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:230840 (pubchem-xref) |