Ontology mapping
- Primary identifier
-
CHEBI:132646 - Ontology label
- oxonitine
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 8-(acetyloxy)-20-formyl-3,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl benzoate | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Molecular formula
- C33H43NO12
- Inchi
- InChI=1S/C33H43NO12/c1-16(36)46-33-21-18(12-31(40,28(44-5)26(33)38)27(21)45-29(39)17-9-7-6-8-10-17)32-20(42-3)11-19(37)30(14-41-2)13-34(15-35)25(32)22(33)23(43-4)24(30)32/h6-10,15,18-28,37-38,40H,11-14H2,1-5H3/t18-,19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
- Smiles
- [H][C@@]12C[C@]3(O)[C@@H](OC)[C@H](O)[C@@](OC(C)=O)([C@@]1([H])[C@H]3OC(=O)c1ccccc1)[C@]1([H])C3N(C=O)C[C@]4(COC)[C@H](O)C[C@H](OC)[C@@]32[C@]4([H])[C@H]1OC
- Data source
- CHEBI sqlite (oaklib)
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=—); Imported from CultureBotHT. |
| 2026-05-01T07:35:35.650940+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:31.759342+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C33H43NO12; inchi=InChI=1S/C33H43NO12/c1-16(36)46-33-21-18(12-31(40,; smiles=[H][C@@]12C[C@]3(O)[C@@H](OC)[C@H](O)[C@@](OC(C)=O | |
| 2026-05-02T03:12:17.566827+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |