EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C24H29N3O4S |
| Net Charge | 0 |
| Average Mass | 455.580 |
| Monoisotopic Mass | 455.18788 |
| SMILES | COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(S(=O)(=O)c2ccccc2)CC1 |
| InChI | InChI=1S/C24H29N3O4S/c1-26-21-14-17(31-2)8-9-19(21)22-23(26)20(15-28)25-16-24(22)10-12-27(13-11-24)32(29,30)18-6-4-3-5-7-18/h3-9,14,20,25,28H,10-13,15-16H2,1-2H3/t20-/m0/s1 |
| InChIKey | NHMASEOOQBTKMW-FQEVSTJZSA-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'-(benzenesulfonyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:129641) is a harmala alkaloid (CHEBI:61379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41192 | LINCS |