EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H31N5O2 |
| Net Charge | 0 |
| Average Mass | 469.589 |
| Monoisotopic Mass | 469.24778 |
| SMILES | COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccn1)CC31CN(Cc2ccccn2)C1 |
| InChI | InChI=1S/C28H31N5O2/c1-31-24-13-22(35-2)9-10-23(24)26-27(31)25(16-34)33(15-21-8-4-6-12-30-21)19-28(26)17-32(18-28)14-20-7-3-5-11-29-20/h3-13,25,34H,14-19H2,1-2H3/t25-/m0/s1 |
| InChIKey | KZVGYASQHFEUCA-VWLOTQADSA-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)-7-methoxy-9-methyl-1',2-bis(2-pyridinylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (CHEBI:126008) is a harmala alkaloid (CHEBI:61379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37575 | LINCS |