EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H36N4O3 |
| Net Charge | 0 |
| Average Mass | 476.621 |
| Monoisotopic Mass | 476.27874 |
| SMILES | COc1ccc2c3c(nc2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(C(=O)NC(C)C)CC1 |
| InChI | InChI=1S/C28H36N4O3/c1-19(2)29-27(34)31-13-11-28(12-14-31)18-32(16-20-7-5-4-6-8-20)24(17-33)26-25(28)22-10-9-21(35-3)15-23(22)30-26/h4-10,15,19,24,30,33H,11-14,16-18H2,1-3H3,(H,29,34)/t24-/m0/s1 |
| InChIKey | FTOODGFNVAJILU-DEOSSOPVSA-N |
| Roles Classification |
|---|
| Biological Role: | 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) |
| (1R)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:131053) is a harmala alkaloid (CHEBI:61379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42601 | LINCS |