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CHEBI:6510 - lochnericine
| Formula | C21H24N2O3 |
| Net Charge | 0 |
| Average Mass | 352.434 |
| Monoisotopic Mass | 352.17869 |
| SMILES | [H][C@@]12N3CC[C@]14C(=C(C(=O)OC)C[C@]2(CC)[C@H]1O[C@H]1C3)Nc1ccccc14 |
| InChI | InChI=1S/C21H24N2O3/c1-3-20-10-12(18(24)25-2)16-21(13-6-4-5-7-14(13)22-16)8-9-23(19(20)21)11-15-17(20)26-15/h4-7,15,17,19,22H,3,8-11H2,1-2H3/t15-,17-,19-,20+,21-/m0/s1 |
| InChIKey | AUVZFRDLRJQTQF-KXEYLTKFSA-N |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lochnericine (CHEBI:6510) has role plant metabolite (CHEBI:76924) |
| lochnericine (CHEBI:6510) is a Aspidosperma alkaloid (CHEBI:142772) |
| lochnericine (CHEBI:6510) is a epoxide (CHEBI:32955) |
| lochnericine (CHEBI:6510) is a methyl ester (CHEBI:25248) |
| lochnericine (CHEBI:6510) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| lochnericine (CHEBI:6510) is a organic heterohexacyclic compound (CHEBI:51914) |
| lochnericine (CHEBI:6510) is conjugate base of lochnericine(1+) (CHEBI:144374) |
| Incoming Relation(s) |
| lochnericine(1+) (CHEBI:144374) is conjugate acid of lochnericine (CHEBI:6510) |
| IUPAC Name |
|---|
| methyl 5α,6α,7α,12β,19α-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate |
| Synonyms | Source |
|---|---|
| (−)-lochnericine | KNApSAcK |
| (5α,6α,7α,12β,19α)-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylic acid methyl ester | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| CAS:72058-36-7 | ChemIDplus |
| Citations |
|---|