Ontology mapping
- Primary identifier
-
CHEBI:8692
Chemical properties
- Cas rn
- 76-78-8
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C22H28O6
- Inchi
- InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
- Smiles
- [H][C@@]12C(=O)C(OC)=C(C)[C@]3([H])CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C=C(OC)C(=O)[C@]14C)[C@]23C
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=76-78-8); Imported from CultureBotHT. |
| 2026-05-01T07:35:36.016967+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.110830+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C22H28O6; inchi=InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10; smiles=[H][C@@]12C(=O)C(OC)=C(C)[C@]3([H])CC(=O)O[C@]([H] | |
| 2026-05-02T03:12:18.044606+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |