EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H37N3O2 |
| Net Charge | 0 |
| Average Mass | 459.634 |
| Monoisotopic Mass | 459.28858 |
| SMILES | COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(CC2CC2)CC1 |
| InChI | InChI=1S/C29H37N3O2/c1-30-25-16-23(34-2)10-11-24(25)27-28(30)26(19-33)32(18-21-6-4-3-5-7-21)20-29(27)12-14-31(15-13-29)17-22-8-9-22/h3-7,10-11,16,22,26,33H,8-9,12-15,17-20H2,1-2H3/t26-/m0/s1 |
| InChIKey | DAFHQSDERJEGLI-SANMLTNESA-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'-(cyclopropylmethyl)-7-methoxy-9-methyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:126944) is a harmala alkaloid (CHEBI:61379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38507 | LINCS |