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CHEBI:2523 - ajaconine
| Formula | C22H33NO3 |
| Net Charge | 0 |
| Average Mass | 359.510 |
| Monoisotopic Mass | 359.24604 |
| SMILES | [H][C@@]12C[C@H]3OC4N(CCO)C[C@]1(C)CCC[C@]42[C@]1([H])C[C@@H]2CC[C@]31[C@H](O)C2=C |
| InChI | InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19?,20-,21-,22+/m0/s1 |
| InChIKey | RLXRCZIALRMBJR-VRMMQTGXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Consolida orientalis (ncbitaxon:565971) | aerial part (BTO:0001658) | PubMed (8864243) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ajaconine (CHEBI:2523) has parent hydride atidane (CHEBI:35919) |
| ajaconine (CHEBI:2523) has role plant metabolite (CHEBI:76924) |
| ajaconine (CHEBI:2523) is a cyclic ether (CHEBI:37407) |
| ajaconine (CHEBI:2523) is a diterpenoid (CHEBI:23849) |
| ajaconine (CHEBI:2523) is a olefinic compound (CHEBI:78840) |
| ajaconine (CHEBI:2523) is a organic heterohexacyclic compound (CHEBI:51914) |
| ajaconine (CHEBI:2523) is a primary alcohol (CHEBI:15734) |
| ajaconine (CHEBI:2523) is a secondary alcohol (CHEBI:35681) |
| ajaconine (CHEBI:2523) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 7α,20-epoxy-21-(2-hydroxyethyl)-4-methylatid-16-en-15β-ol |
| Synonym | Source |
|---|---|
| Ajaconine | KEGG COMPOUND |
| Citations |
|---|