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CHEBI:207464 - 12beta-hydroxy-13alpha-methoxyverruculogen TR-2
| Formula | C23H29N3O6 |
| Net Charge | 0 |
| Average Mass | 443.500 |
| Monoisotopic Mass | 443.20564 |
| SMILES | COc1ccc2c3c(nc2c1)[C@H](CC(C)(C)O)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3OC |
| InChI | InChI=1S/C23H29N3O6/c1-22(2,29)11-16-18-17(13-8-7-12(31-3)10-14(13)24-18)19(32-4)23(30)21(28)25-9-5-6-15(25)20(27)26(16)23/h7-8,10,15-16,19,24,29-30H,5-6,9,11H2,1-4H3/t15-,16-,19-,23-/m0/s1 |
| InChIKey | IQQGHQDLZFLSGU-YZQOHXRLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (22409377) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12beta-hydroxy-13alpha-methoxyverruculogen TR-2 (CHEBI:207464) is a β-carbolines (CHEBI:60834) |
| IUPAC Name |
|---|
| (1S,2S,12S,15S)-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-2,7-dimethoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione |
| Manual Xrefs | Databases |
|---|---|
| 29214766 | ChemSpider |